1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxamide

C8H12F3NO2 — CID 64757151

IUPAC1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)5-1-3-7(14,4-2-5)6(12)13/h5,14H,1-4H2,(H2,12,13)
InChIKeyLRAHXXFXBPQWRA-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.96
Rot. Bonds1

About 1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxamide

1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 64757151) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID64757151
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)5-1-3-7(14,4-2-5)6(12)13/h5,14H,1-4H2,(H2,12,13)
InChIKeyLRAHXXFXBPQWRA-UHFFFAOYSA-N
XLogP0.96
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxamide (CID 64757151) is 1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxamide is NC(=O)C1(O)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is LRAHXXFXBPQWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)5-1-3-7(14,4-2-5)6(12)13/h5,14H,1-4H2,(H2,12,13).
What are the key properties of 1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxamide?
1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 211.18 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64757151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).