4-cyclopropyl-2-fluoro-1-methylbenzene;ethane

C14H23F — CID 177038852

IUPAC4-cyclopropyl-2-fluoro-1-methylbenzene;ethane
SMILESCC.CC.Cc1ccc(C2CC2)cc1F
InChIInChI=1S/C10H11F.2C2H6/c1-7-2-3-9(6-10(7)11)8-4-5-8;2*1-2/h2-3,6,8H,4-5H2,1H3;2*1-2H3
InChIKeyAGDSPRGMRXKBGH-UHFFFAOYSA-N
MW210.34 g/mol
LogP5.06
Rot. Bonds1

About 4-cyclopropyl-2-fluoro-1-methylbenzene;ethane

4-cyclopropyl-2-fluoro-1-methylbenzene;ethane (PubChem CID 177038852) has the molecular formula C14H23F and a molecular weight of 210.34 g/mol. Its IUPAC name is 4-cyclopropyl-2-fluoro-1-methylbenzene;ethane.

Molecular Properties

Compound Name4-cyclopropyl-2-fluoro-1-methylbenzene;ethane
PubChem CID177038852
Molecular FormulaC14H23F
Molecular Weight210.34 g/mol
Exact Mass210.18
IUPAC Name4-cyclopropyl-2-fluoro-1-methylbenzene;ethane
SMILESCC.CC.Cc1ccc(C2CC2)cc1F
InChIInChI=1S/C10H11F.2C2H6/c1-7-2-3-9(6-10(7)11)8-4-5-8;2*1-2/h2-3,6,8H,4-5H2,1H3;2*1-2H3
InChIKeyAGDSPRGMRXKBGH-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.34
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[4-(3-fluoro-4-methylphenyl)cyclohexyl]methylsilane
CID 137329605
4-[4-(cyclohexylmethyl)cyclohexyl]-2-fluoro-1-methylbenzene
CID 54260126
CID 59940150
CID 59940150
cyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 91598886
4-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]-2-fluoro-1-methylbenzene
CID 18656305
2-fluoro-4-[4-(6-fluorohexyl)cyclohexyl]-1-methylbenzene
CID 20663566
9-(3-fluoro-4-methylphenyl)-3-azaspiro[5.5]undecane
CID 129110470
(4-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128111
(2R)-2-(3-fluoro-4-methylphenyl)azetidine
CID 130737796
3-(3-fluoro-4-methylphenyl)-N-methylcyclohexan-1-amine
CID 107129420
4-(2-chlorocyclohexyl)-2-fluoro-1-methylbenzene
CID 107129356
CID 20632256
CID 20632256

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-fluoro-1-methylbenzene;ethane?
The IUPAC name of 4-cyclopropyl-2-fluoro-1-methylbenzene;ethane (CID 177038852) is 4-cyclopropyl-2-fluoro-1-methylbenzene;ethane.
What is the SMILES notation for 4-cyclopropyl-2-fluoro-1-methylbenzene;ethane?
The canonical SMILES for 4-cyclopropyl-2-fluoro-1-methylbenzene;ethane is CC.CC.Cc1ccc(C2CC2)cc1F.
What is the InChIKey of 4-cyclopropyl-2-fluoro-1-methylbenzene;ethane?
The InChIKey is AGDSPRGMRXKBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F.2C2H6/c1-7-2-3-9(6-10(7)11)8-4-5-8;2*1-2/h2-3,6,8H,4-5H2,1H3;2*1-2H3.
What are the key properties of 4-cyclopropyl-2-fluoro-1-methylbenzene;ethane?
4-cyclopropyl-2-fluoro-1-methylbenzene;ethane has a molecular weight of 210.34 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-fluoro-1-methylbenzene;ethane is sourced from PubChem (CID 177038852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).