1-[1-(difluoromethyl)cyclohexyl]-3-fluorobenzene

C13H15F3 — CID 84726019

IUPAC1-[1-(difluoromethyl)cyclohexyl]-3-fluorobenzene
SMILESFc1cccc(C2(C(F)F)CCCCC2)c1
InChIInChI=1S/C13H15F3/c14-11-6-4-5-10(9-11)13(12(15)16)7-2-1-3-8-13/h4-6,9,12H,1-3,7-8H2
InChIKeySEIQJXZPIAJGRN-UHFFFAOYSA-N
MW228.26 g/mol
LogP4.29
Rot. Bonds2

About 1-[1-(difluoromethyl)cyclohexyl]-3-fluorobenzene

1-[1-(difluoromethyl)cyclohexyl]-3-fluorobenzene (PubChem CID 84726019) has the molecular formula C13H15F3 and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)cyclohexyl]-3-fluorobenzene.

Molecular Properties

Compound Name1-[1-(difluoromethyl)cyclohexyl]-3-fluorobenzene
PubChem CID84726019
Molecular FormulaC13H15F3
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name1-[1-(difluoromethyl)cyclohexyl]-3-fluorobenzene
SMILESFc1cccc(C2(C(F)F)CCCCC2)c1
InChIInChI=1S/C13H15F3/c14-11-6-4-5-10(9-11)13(12(15)16)7-2-1-3-8-13/h4-6,9,12H,1-3,7-8H2
InChIKeySEIQJXZPIAJGRN-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[1-(difluoromethyl)cyclopentyl]-4-fluorobenzene
CID 84723635
2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid
CID 68973973
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
1-chloro-3-[1-(difluoromethyl)cyclopropyl]benzene
CID 84721508
1-fluoro-3-(1-methylcyclopropyl)benzene
CID 90779989
1-[1-(3-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine
CID 53321082
1-(3-fluorophenyl)cyclopropan-1-amine;hydrochloride
CID 53256538
1-chloro-4-[1-(difluoromethyl)cyclohexyl]benzene
CID 84728475
2-(3-fluorophenyl)spiro[3.5]nonane-2-carboxylic acid
CID 65006564
4-(3-chlorophenyl)-4-(difluoromethyl)piperidine
CID 84737368
1-[3-[1-(difluoromethyl)cyclopropyl]phenyl]ethanone
CID 84723110
2-(3-fluorophenyl)-2-methyl-1,10-dioxaspiro[4.5]dec-3-ene
CID 134959442

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)cyclohexyl]-3-fluorobenzene?
The IUPAC name of 1-[1-(difluoromethyl)cyclohexyl]-3-fluorobenzene (CID 84726019) is 1-[1-(difluoromethyl)cyclohexyl]-3-fluorobenzene.
What is the SMILES notation for 1-[1-(difluoromethyl)cyclohexyl]-3-fluorobenzene?
The canonical SMILES for 1-[1-(difluoromethyl)cyclohexyl]-3-fluorobenzene is Fc1cccc(C2(C(F)F)CCCCC2)c1.
What is the InChIKey of 1-[1-(difluoromethyl)cyclohexyl]-3-fluorobenzene?
The InChIKey is SEIQJXZPIAJGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3/c14-11-6-4-5-10(9-11)13(12(15)16)7-2-1-3-8-13/h4-6,9,12H,1-3,7-8H2.
What are the key properties of 1-[1-(difluoromethyl)cyclohexyl]-3-fluorobenzene?
1-[1-(difluoromethyl)cyclohexyl]-3-fluorobenzene has a molecular weight of 228.26 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)cyclohexyl]-3-fluorobenzene is sourced from PubChem (CID 84726019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).