1-chloro-4-[1-(difluoromethyl)cyclohexyl]benzene

C13H15ClF2 — CID 84728475

IUPAC1-chloro-4-[1-(difluoromethyl)cyclohexyl]benzene
SMILESFC(F)C1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C13H15ClF2/c14-11-6-4-10(5-7-11)13(12(15)16)8-2-1-3-9-13/h4-7,12H,1-3,8-9H2
InChIKeyMROOCANQLKVVPW-UHFFFAOYSA-N
MW244.71 g/mol
LogP4.81
Rot. Bonds2

About 1-chloro-4-[1-(difluoromethyl)cyclohexyl]benzene

1-chloro-4-[1-(difluoromethyl)cyclohexyl]benzene (PubChem CID 84728475) has the molecular formula C13H15ClF2 and a molecular weight of 244.71 g/mol. Its IUPAC name is 1-chloro-4-[1-(difluoromethyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[1-(difluoromethyl)cyclohexyl]benzene
PubChem CID84728475
Molecular FormulaC13H15ClF2
Molecular Weight244.71 g/mol
Exact Mass244.08
IUPAC Name1-chloro-4-[1-(difluoromethyl)cyclohexyl]benzene
SMILESFC(F)C1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C13H15ClF2/c14-11-6-4-10(5-7-11)13(12(15)16)8-2-1-3-9-13/h4-7,12H,1-3,8-9H2
InChIKeyMROOCANQLKVVPW-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.71
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[1-(difluoromethyl)cyclopentyl]-4-fluorobenzene
CID 84723635
1-[1-(4-chlorophenyl)cyclopentyl]ethanamine
CID 83691849
4-[1-(difluoromethyl)cyclopropyl]phenol
CID 84718814
2-bromo-2-[1-(4-chlorophenyl)cyclopentyl]acetaldehyde
CID 87523135
2-[1-(4-chlorophenyl)cyclopentyl]propanoic acid
CID 68974773
1-chloro-3-[1-(difluoromethyl)cyclopropyl]benzene
CID 84721508
1-[1-(difluoromethyl)cyclohexyl]-3-fluorobenzene
CID 84726019
(1S,2S)-1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-2-ol;hydrochloride
CID 139996809
1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene
CID 91148792
1-(1-tert-butylcyclohexyl)-4-chlorobenzene
CID 59590193
1-(4-chlorophenyl)cyclohexane-1-carbaldehyde
CID 21475899
bis[1-(4-chlorophenyl)cyclohexyl]methanone
CID 139779969

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-(difluoromethyl)cyclohexyl]benzene?
The IUPAC name of 1-chloro-4-[1-(difluoromethyl)cyclohexyl]benzene (CID 84728475) is 1-chloro-4-[1-(difluoromethyl)cyclohexyl]benzene.
What is the SMILES notation for 1-chloro-4-[1-(difluoromethyl)cyclohexyl]benzene?
The canonical SMILES for 1-chloro-4-[1-(difluoromethyl)cyclohexyl]benzene is FC(F)C1(c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 1-chloro-4-[1-(difluoromethyl)cyclohexyl]benzene?
The InChIKey is MROOCANQLKVVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF2/c14-11-6-4-10(5-7-11)13(12(15)16)8-2-1-3-9-13/h4-7,12H,1-3,8-9H2.
What are the key properties of 1-chloro-4-[1-(difluoromethyl)cyclohexyl]benzene?
1-chloro-4-[1-(difluoromethyl)cyclohexyl]benzene has a molecular weight of 244.71 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-(difluoromethyl)cyclohexyl]benzene is sourced from PubChem (CID 84728475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).