4-chloro-2-fluoro-1-(1-methylcyclohexyl)benzene

C13H16ClF — CID 175792533

IUPAC4-chloro-2-fluoro-1-(1-methylcyclohexyl)benzene
SMILESCC1(c2ccc(Cl)cc2F)CCCCC1
InChIInChI=1S/C13H16ClF/c1-13(7-3-2-4-8-13)11-6-5-10(14)9-12(11)15/h5-6,9H,2-4,7-8H2,1H3
InChIKeyNYGBEHSISPFZGJ-UHFFFAOYSA-N
MW226.72 g/mol
LogP4.70
Rot. Bonds1

About 4-chloro-2-fluoro-1-(1-methylcyclohexyl)benzene

4-chloro-2-fluoro-1-(1-methylcyclohexyl)benzene (PubChem CID 175792533) has the molecular formula C13H16ClF and a molecular weight of 226.72 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1-(1-methylcyclohexyl)benzene.

Molecular Properties

Compound Name4-chloro-2-fluoro-1-(1-methylcyclohexyl)benzene
PubChem CID175792533
Molecular FormulaC13H16ClF
Molecular Weight226.72 g/mol
Exact Mass226.09
IUPAC Name4-chloro-2-fluoro-1-(1-methylcyclohexyl)benzene
SMILESCC1(c2ccc(Cl)cc2F)CCCCC1
InChIInChI=1S/C13H16ClF/c1-13(7-3-2-4-8-13)11-6-5-10(14)9-12(11)15/h5-6,9H,2-4,7-8H2,1H3
InChIKeyNYGBEHSISPFZGJ-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.72
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 80684717
N-[[1-(4-chloro-2-fluorophenyl)cyclopropyl]methyl]formamide
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1-(4-chloro-2-fluorophenyl)-4-methoxycyclohexan-1-ol
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4-(4-chloro-2-fluorophenyl)-4-methoxycyclohexan-1-one
CID 118904905
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-1-(1-methylcyclohexyl)benzene?
The IUPAC name of 4-chloro-2-fluoro-1-(1-methylcyclohexyl)benzene (CID 175792533) is 4-chloro-2-fluoro-1-(1-methylcyclohexyl)benzene.
What is the SMILES notation for 4-chloro-2-fluoro-1-(1-methylcyclohexyl)benzene?
The canonical SMILES for 4-chloro-2-fluoro-1-(1-methylcyclohexyl)benzene is CC1(c2ccc(Cl)cc2F)CCCCC1.
What is the InChIKey of 4-chloro-2-fluoro-1-(1-methylcyclohexyl)benzene?
The InChIKey is NYGBEHSISPFZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF/c1-13(7-3-2-4-8-13)11-6-5-10(14)9-12(11)15/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 4-chloro-2-fluoro-1-(1-methylcyclohexyl)benzene?
4-chloro-2-fluoro-1-(1-methylcyclohexyl)benzene has a molecular weight of 226.72 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-1-(1-methylcyclohexyl)benzene is sourced from PubChem (CID 175792533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).