N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C13H22F3NO2 — CID 80741892

IUPACN-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(CCO)CNC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H22F3NO2/c1-9(5-6-18)8-17-12(19)10-3-2-4-11(7-10)13(14,15)16/h9-11,18H,2-8H2,1H3,(H,17,19)
InChIKeyYGZKZQJMKFBVDP-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.49
Rot. Bonds5

About N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 80741892) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID80741892
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC NameN-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(CCO)CNC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H22F3NO2/c1-9(5-6-18)8-17-12(19)10-3-2-4-11(7-10)13(14,15)16/h9-11,18H,2-8H2,1H3,(H,17,19)
InChIKeyYGZKZQJMKFBVDP-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 80741892) is N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is CC(CCO)CNC(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is YGZKZQJMKFBVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-9(5-6-18)8-17-12(19)10-3-2-4-11(7-10)13(14,15)16/h9-11,18H,2-8H2,1H3,(H,17,19).
What are the key properties of N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 80741892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).