1-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol

C13H14ClF3O — CID 19261885

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESOC1(c2ccc(Cl)c(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C13H14ClF3O/c14-11-5-4-9(8-10(11)13(15,16)17)12(18)6-2-1-3-7-12/h4-5,8,18H,1-3,6-7H2
InChIKeyWKWQNWDGZLJRDV-UHFFFAOYSA-N
MW278.70 g/mol
LogP4.51
Rot. Bonds1

About 1-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol

1-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol (PubChem CID 19261885) has the molecular formula C13H14ClF3O and a molecular weight of 278.70 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
PubChem CID19261885
Molecular FormulaC13H14ClF3O
Molecular Weight278.70 g/mol
Exact Mass278.07
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESOC1(c2ccc(Cl)c(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C13H14ClF3O/c14-11-5-4-9(8-10(11)13(15,16)17)12(18)6-2-1-3-7-12/h4-5,8,18H,1-3,6-7H2
InChIKeyWKWQNWDGZLJRDV-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol (CID 19261885) is 1-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol is OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCCCC1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The InChIKey is WKWQNWDGZLJRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3O/c14-11-5-4-9(8-10(11)13(15,16)17)12(18)6-2-1-3-7-12/h4-5,8,18H,1-3,6-7H2.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
1-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol has a molecular weight of 278.70 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 19261885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).