[3-[[2-(trifluoromethyl)cyclohexyl]amino]phenyl]methanol

C14H18F3NO — CID 64759496

IUPAC[3-[[2-(trifluoromethyl)cyclohexyl]amino]phenyl]methanol
SMILESOCc1cccc(NC2CCCCC2C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)12-6-1-2-7-13(12)18-11-5-3-4-10(8-11)9-19/h3-5,8,12-13,18-19H,1-2,6-7,9H2
InChIKeyIZJXZJYLUXNLLQ-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.71
Rot. Bonds3

About [3-[[2-(trifluoromethyl)cyclohexyl]amino]phenyl]methanol

[3-[[2-(trifluoromethyl)cyclohexyl]amino]phenyl]methanol (PubChem CID 64759496) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is [3-[[2-(trifluoromethyl)cyclohexyl]amino]phenyl]methanol.

Molecular Properties

Compound Name[3-[[2-(trifluoromethyl)cyclohexyl]amino]phenyl]methanol
PubChem CID64759496
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name[3-[[2-(trifluoromethyl)cyclohexyl]amino]phenyl]methanol
SMILESOCc1cccc(NC2CCCCC2C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)12-6-1-2-7-13(12)18-11-5-3-4-10(8-11)9-19/h3-5,8,12-13,18-19H,1-2,6-7,9H2
InChIKeyIZJXZJYLUXNLLQ-UHFFFAOYSA-N
XLogP3.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[[2-(trifluoromethyl)cyclohexyl]amino]phenyl]methanol?
The IUPAC name of [3-[[2-(trifluoromethyl)cyclohexyl]amino]phenyl]methanol (CID 64759496) is [3-[[2-(trifluoromethyl)cyclohexyl]amino]phenyl]methanol.
What is the SMILES notation for [3-[[2-(trifluoromethyl)cyclohexyl]amino]phenyl]methanol?
The canonical SMILES for [3-[[2-(trifluoromethyl)cyclohexyl]amino]phenyl]methanol is OCc1cccc(NC2CCCCC2C(F)(F)F)c1.
What is the InChIKey of [3-[[2-(trifluoromethyl)cyclohexyl]amino]phenyl]methanol?
The InChIKey is IZJXZJYLUXNLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)12-6-1-2-7-13(12)18-11-5-3-4-10(8-11)9-19/h3-5,8,12-13,18-19H,1-2,6-7,9H2.
What are the key properties of [3-[[2-(trifluoromethyl)cyclohexyl]amino]phenyl]methanol?
[3-[[2-(trifluoromethyl)cyclohexyl]amino]phenyl]methanol has a molecular weight of 273.30 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(trifluoromethyl)cyclohexyl]amino]phenyl]methanol is sourced from PubChem (CID 64759496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).