1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene

C16H20F2 — CID 158288889

IUPAC1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(C2CCC(C3CC3)CC2)c(F)c1F
InChIInChI=1S/C16H20F2/c1-10-2-9-14(16(18)15(10)17)13-7-5-12(6-8-13)11-3-4-11/h2,9,11-13H,3-8H2,1H3
InChIKeyWQBFGFGTLHVIDR-UHFFFAOYSA-N
MW250.33 g/mol
LogP4.96
Rot. Bonds2

About 1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene

1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene (PubChem CID 158288889) has the molecular formula C16H20F2 and a molecular weight of 250.33 g/mol. Its IUPAC name is 1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene
PubChem CID158288889
Molecular FormulaC16H20F2
Molecular Weight250.33 g/mol
Exact Mass250.15
IUPAC Name1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(C2CCC(C3CC3)CC2)c(F)c1F
InChIInChI=1S/C16H20F2/c1-10-2-9-14(16(18)15(10)17)13-7-5-12(6-8-13)11-3-4-11/h2,9,11-13H,3-8H2,1H3
InChIKeyWQBFGFGTLHVIDR-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol
CID 58453704
[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]methanol
CID 58058777
1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene
CID 170391070
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 71046263
2,3-difluoro-1-(4-methoxycyclohexyl)-4-methylbenzene;methane
CID 158692568
5-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]-2-methyl-3,4-dihydro-2H-pyran
CID 118358966
2,3-difluoro-1-[4-[4-[(E)-6-fluorohex-3-enyl]cyclohexyl]cyclohexyl]-4-methylbenzene
CID 118316622
2-butyl-6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868866
2,3-difluoro-1-methyl-4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]benzene;rhenium
CID 173489359
4-[4-(3-chloro-2-fluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-amine
CID 130252791
4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol
CID 164913639

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene?
The IUPAC name of 1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene (CID 158288889) is 1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene.
What is the SMILES notation for 1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene?
The canonical SMILES for 1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene is Cc1ccc(C2CCC(C3CC3)CC2)c(F)c1F.
What is the InChIKey of 1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene?
The InChIKey is WQBFGFGTLHVIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2/c1-10-2-9-14(16(18)15(10)17)13-7-5-12(6-8-13)11-3-4-11/h2,9,11-13H,3-8H2,1H3.
What are the key properties of 1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene?
1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene has a molecular weight of 250.33 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene is sourced from PubChem (CID 158288889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).