N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C12H20F3NO2 — CID 80741618

IUPACN-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(CO)CNC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO2/c1-8(7-17)6-16-11(18)9-3-2-4-10(5-9)12(13,14)15/h8-10,17H,2-7H2,1H3,(H,16,18)
InChIKeyULQDBHAVBLGNMB-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.10
Rot. Bonds4

About N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 80741618) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID80741618
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(CO)CNC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO2/c1-8(7-17)6-16-11(18)9-3-2-4-10(5-9)12(13,14)15/h8-10,17H,2-7H2,1H3,(H,16,18)
InChIKeyULQDBHAVBLGNMB-UHFFFAOYSA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 80741618) is N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is CC(CO)CNC(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is ULQDBHAVBLGNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-8(7-17)6-16-11(18)9-3-2-4-10(5-9)12(13,14)15/h8-10,17H,2-7H2,1H3,(H,16,18).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 80741618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).