[1-[[2-chloro-4-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol

C15H19ClF3NO — CID 81400977

IUPAC[1-[[2-chloro-4-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol
SMILESOCC1(CNc2ccc(C(F)(F)F)cc2Cl)CCCCC1
InChIInChI=1S/C15H19ClF3NO/c16-12-8-11(15(17,18)19)4-5-13(12)20-9-14(10-21)6-2-1-3-7-14/h4-5,8,20-21H,1-3,6-7,9-10H2
InChIKeyWHBCPQFONMNOPY-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.71
Rot. Bonds4

About [1-[[2-chloro-4-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol

[1-[[2-chloro-4-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol (PubChem CID 81400977) has the molecular formula C15H19ClF3NO and a molecular weight of 321.77 g/mol. Its IUPAC name is [1-[[2-chloro-4-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[2-chloro-4-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol
PubChem CID81400977
Molecular FormulaC15H19ClF3NO
Molecular Weight321.77 g/mol
Exact Mass321.11
IUPAC Name[1-[[2-chloro-4-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol
SMILESOCC1(CNc2ccc(C(F)(F)F)cc2Cl)CCCCC1
InChIInChI=1S/C15H19ClF3NO/c16-12-8-11(15(17,18)19)4-5-13(12)20-9-14(10-21)6-2-1-3-7-14/h4-5,8,20-21H,1-3,6-7,9-10H2
InChIKeyWHBCPQFONMNOPY-UHFFFAOYSA-N
XLogP4.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-chloro-4-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[2-chloro-4-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol (CID 81400977) is [1-[[2-chloro-4-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[2-chloro-4-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[2-chloro-4-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol is OCC1(CNc2ccc(C(F)(F)F)cc2Cl)CCCCC1.
What is the InChIKey of [1-[[2-chloro-4-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol?
The InChIKey is WHBCPQFONMNOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3NO/c16-12-8-11(15(17,18)19)4-5-13(12)20-9-14(10-21)6-2-1-3-7-14/h4-5,8,20-21H,1-3,6-7,9-10H2.
What are the key properties of [1-[[2-chloro-4-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol?
[1-[[2-chloro-4-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol has a molecular weight of 321.77 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-chloro-4-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 81400977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).