1-fluoro-3-(1-propan-2-ylcyclopropyl)benzene;1-methyl-4-(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclohexyl)benzene;(1-propan-2-ylcyclopentyl)benzene

C68H95F — CID 159896274

IUPAC1-fluoro-3-(1-propan-2-ylcyclopropyl)benzene;1-methyl-4-(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclohexyl)benzene;(1-propan-2-ylcyclopentyl)benzene
SMILESCC(C)C1(c2cccc(F)c2)CC1.CC(C)C1(c2ccccc2)CCC1.CC(C)C1(c2ccccc2)CCCC1.CC(C)C1(c2ccccc2)CCCCC1.Cc1ccc(C2(C(C)C)CCC2)cc1
InChIInChI=1S/C15H22.2C14H20.C13H18.C12H15F/c1-13(2)15(11-7-4-8-12-15)14-9-5-3-6-10-14;1-11(2)14(9-4-10-14)13-7-5-12(3)6-8-13;1-12(2)14(10-6-7-11-14)13-8-4-3-5-9-13;1-11(2)13(9-6-10-13)12-7-4-3-5-8-12;1-9(2)12(6-7-12)10-4-3-5-11(13)8-10/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3;5-8,11H,4,9-10H2,1-3H3;3-5,8-9,12H,6-7,10-11H2,1-2H3;3-5,7-8,11H,6,9-10H2,1-2H3;3-5,8-9H,6-7H2,1-2H3
InChIKeyNVJOPMZBHUBWHL-UHFFFAOYSA-N
MW931.51 g/mol
LogP20.05
Rot. Bonds10

About 1-fluoro-3-(1-propan-2-ylcyclopropyl)benzene;1-methyl-4-(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclohexyl)benzene;(1-propan-2-ylcyclopentyl)benzene

1-fluoro-3-(1-propan-2-ylcyclopropyl)benzene;1-methyl-4-(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclohexyl)benzene;(1-propan-2-ylcyclopentyl)benzene (PubChem CID 159896274) has the molecular formula C68H95F and a molecular weight of 931.51 g/mol. Its IUPAC name is 1-fluoro-3-(1-propan-2-ylcyclopropyl)benzene;1-methyl-4-(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclohexyl)benzene;(1-propan-2-ylcyclopentyl)benzene.

Molecular Properties

Compound Name1-fluoro-3-(1-propan-2-ylcyclopropyl)benzene;1-methyl-4-(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclohexyl)benzene;(1-propan-2-ylcyclopentyl)benzene
PubChem CID159896274
Molecular FormulaC68H95F
Molecular Weight931.51 g/mol
Exact Mass930.74
IUPAC Name1-fluoro-3-(1-propan-2-ylcyclopropyl)benzene;1-methyl-4-(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclohexyl)benzene;(1-propan-2-ylcyclopentyl)benzene
SMILESCC(C)C1(c2cccc(F)c2)CC1.CC(C)C1(c2ccccc2)CCC1.CC(C)C1(c2ccccc2)CCCC1.CC(C)C1(c2ccccc2)CCCCC1.Cc1ccc(C2(C(C)C)CCC2)cc1
InChIInChI=1S/C15H22.2C14H20.C13H18.C12H15F/c1-13(2)15(11-7-4-8-12-15)14-9-5-3-6-10-14;1-11(2)14(9-4-10-14)13-7-5-12(3)6-8-13;1-12(2)14(10-6-7-11-14)13-8-4-3-5-9-13;1-11(2)13(9-6-10-13)12-7-4-3-5-8-12;1-9(2)12(6-7-12)10-4-3-5-11(13)8-10/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3;5-8,11H,4,9-10H2,1-3H3;3-5,8-9,12H,6-7,10-11H2,1-2H3;3-5,7-8,11H,6,9-10H2,1-2H3;3-5,8-9H,6-7H2,1-2H3
InChIKeyNVJOPMZBHUBWHL-UHFFFAOYSA-N
XLogP20.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.51
LogP ≤ 520.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-fluoro-3-(1-propan-2-ylcyclopropyl)benzene;1-methyl-4-(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclohexyl)benzene;(1-propan-2-ylcyclopentyl)benzene with MolForge

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Related Compounds

1-[1-(difluoromethyl)cyclohexyl]-3-fluorobenzene
CID 84726019
2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid
CID 68973973
[(4-methylphenyl)-(1-phenylcyclopentyl)methyl]hydrazine
CID 105217438
2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carbaldehyde
CID 105458991
(1R)-2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 105479070
(1R)-1-(1-phenylcyclohexyl)ethanamine
CID 78998571
[1-(1-fluoroethyl)cyclopropyl]benzene
CID 84716993
2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclobutyl)ethanamine
CID 114347866
(4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine
CID 63078447
cumene;1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene
CID 164524639
(2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol
CID 55179614
1-fluoro-3-(1-methylcyclopropyl)benzene
CID 90779989

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(1-propan-2-ylcyclopropyl)benzene;1-methyl-4-(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclohexyl)benzene;(1-propan-2-ylcyclopentyl)benzene?
The IUPAC name of 1-fluoro-3-(1-propan-2-ylcyclopropyl)benzene;1-methyl-4-(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclohexyl)benzene;(1-propan-2-ylcyclopentyl)benzene (CID 159896274) is 1-fluoro-3-(1-propan-2-ylcyclopropyl)benzene;1-methyl-4-(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclohexyl)benzene;(1-propan-2-ylcyclopentyl)benzene.
What is the SMILES notation for 1-fluoro-3-(1-propan-2-ylcyclopropyl)benzene;1-methyl-4-(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclohexyl)benzene;(1-propan-2-ylcyclopentyl)benzene?
The canonical SMILES for 1-fluoro-3-(1-propan-2-ylcyclopropyl)benzene;1-methyl-4-(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclohexyl)benzene;(1-propan-2-ylcyclopentyl)benzene is CC(C)C1(c2cccc(F)c2)CC1.CC(C)C1(c2ccccc2)CCC1.CC(C)C1(c2ccccc2)CCCC1.CC(C)C1(c2ccccc2)CCCCC1.Cc1ccc(C2(C(C)C)CCC2)cc1.
What is the InChIKey of 1-fluoro-3-(1-propan-2-ylcyclopropyl)benzene;1-methyl-4-(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclohexyl)benzene;(1-propan-2-ylcyclopentyl)benzene?
The InChIKey is NVJOPMZBHUBWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22.2C14H20.C13H18.C12H15F/c1-13(2)15(11-7-4-8-12-15)14-9-5-3-6-10-14;1-11(2)14(9-4-10-14)13-7-5-12(3)6-8-13;1-12(2)14(10-6-7-11-14)13-8-4-3-5-9-13;1-11(2)13(9-6-10-13)12-7-4-3-5-8-12;1-9(2)12(6-7-12)10-4-3-5-11(13)8-10/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3;5-8,11H,4,9-10H2,1-3H3;3-5,8-9,12H,6-7,10-11H2,1-2H3;3-5,7-8,11H,6,9-10H2,1-2H3;3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 1-fluoro-3-(1-propan-2-ylcyclopropyl)benzene;1-methyl-4-(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclohexyl)benzene;(1-propan-2-ylcyclopentyl)benzene?
1-fluoro-3-(1-propan-2-ylcyclopropyl)benzene;1-methyl-4-(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclohexyl)benzene;(1-propan-2-ylcyclopentyl)benzene has a molecular weight of 931.51 g/mol, XLogP of 20.05, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(1-propan-2-ylcyclopropyl)benzene;1-methyl-4-(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclohexyl)benzene;(1-propan-2-ylcyclopentyl)benzene is sourced from PubChem (CID 159896274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).