2-[(4-hydroxycyclohexyl)amino]-6-(trifluoromethyl)benzonitrile

C14H15F3N2O — CID 141237421

IUPAC2-[(4-hydroxycyclohexyl)amino]-6-(trifluoromethyl)benzonitrile
SMILESN#Cc1c(NC2CCC(O)CC2)cccc1C(F)(F)F
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)12-2-1-3-13(11(12)8-18)19-9-4-6-10(20)7-5-9/h1-3,9-10,19-20H,4-7H2
InChIKeyUNVLVWDXUFTIAX-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.29
Rot. Bonds2

About 2-[(4-hydroxycyclohexyl)amino]-6-(trifluoromethyl)benzonitrile

2-[(4-hydroxycyclohexyl)amino]-6-(trifluoromethyl)benzonitrile (PubChem CID 141237421) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-6-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-6-(trifluoromethyl)benzonitrile
PubChem CID141237421
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-6-(trifluoromethyl)benzonitrile
SMILESN#Cc1c(NC2CCC(O)CC2)cccc1C(F)(F)F
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)12-2-1-3-13(11(12)8-18)19-9-4-6-10(20)7-5-9/h1-3,9-10,19-20H,4-7H2
InChIKeyUNVLVWDXUFTIAX-UHFFFAOYSA-N
XLogP3.29
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-6-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-6-(trifluoromethyl)benzonitrile (CID 141237421) is 2-[(4-hydroxycyclohexyl)amino]-6-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-6-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-6-(trifluoromethyl)benzonitrile is N#Cc1c(NC2CCC(O)CC2)cccc1C(F)(F)F.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-6-(trifluoromethyl)benzonitrile?
The InChIKey is UNVLVWDXUFTIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c15-14(16,17)12-2-1-3-13(11(12)8-18)19-9-4-6-10(20)7-5-9/h1-3,9-10,19-20H,4-7H2.
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-6-(trifluoromethyl)benzonitrile?
2-[(4-hydroxycyclohexyl)amino]-6-(trifluoromethyl)benzonitrile has a molecular weight of 284.28 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-6-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 141237421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).