1-chloro-2-cyclohexyl-3-fluorobenzene

C12H14ClF — CID 69145892

IUPAC1-chloro-2-cyclohexyl-3-fluorobenzene
SMILESFc1cccc(Cl)c1C1CCCCC1
InChIInChI=1S/C12H14ClF/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKeyWCOUOLQFKAUWKD-UHFFFAOYSA-N
MW212.69 g/mol
LogP4.53
Rot. Bonds1

About 1-chloro-2-cyclohexyl-3-fluorobenzene

1-chloro-2-cyclohexyl-3-fluorobenzene (PubChem CID 69145892) has the molecular formula C12H14ClF and a molecular weight of 212.69 g/mol. Its IUPAC name is 1-chloro-2-cyclohexyl-3-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-cyclohexyl-3-fluorobenzene
PubChem CID69145892
Molecular FormulaC12H14ClF
Molecular Weight212.69 g/mol
Exact Mass212.08
IUPAC Name1-chloro-2-cyclohexyl-3-fluorobenzene
SMILESFc1cccc(Cl)c1C1CCCCC1
InChIInChI=1S/C12H14ClF/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKeyWCOUOLQFKAUWKD-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.69
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Chloro-4-(2,2,2-trichloro-1-(4-chlorophenyl)ethyl)benzene
CID 3036
Mitotane
CID 4211
O,P'-Ddt
CID 13089
O,P'-Dde
CID 246598
2-Chlorostyrene
CID 14906
2-Chlorobiphenyl
CID 249266
2,2',5-Trichlorobiphenyl
CID 37803
3-Chlorobiphenyl
CID 16322
2,2',6,6'-Tetrachlorobiphenyl
CID 27588
3,3'-Dichlorobiphenyl
CID 16307
4-Chlorobiphenyl
CID 16323
2,2'-Dichlorobiphenyl
CID 25622

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-cyclohexyl-3-fluorobenzene?
The IUPAC name of 1-chloro-2-cyclohexyl-3-fluorobenzene (CID 69145892) is 1-chloro-2-cyclohexyl-3-fluorobenzene.
What is the SMILES notation for 1-chloro-2-cyclohexyl-3-fluorobenzene?
The canonical SMILES for 1-chloro-2-cyclohexyl-3-fluorobenzene is Fc1cccc(Cl)c1C1CCCCC1.
What is the InChIKey of 1-chloro-2-cyclohexyl-3-fluorobenzene?
The InChIKey is WCOUOLQFKAUWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2.
What are the key properties of 1-chloro-2-cyclohexyl-3-fluorobenzene?
1-chloro-2-cyclohexyl-3-fluorobenzene has a molecular weight of 212.69 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-cyclohexyl-3-fluorobenzene is sourced from PubChem (CID 69145892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).