N-(1-hydroxy-4-methylpentan-3-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide

C14H24F3NO2 — CID 106834387

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(C)C(CCO)NC(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H24F3NO2/c1-9(2)12(7-8-19)18-13(20)10-3-5-11(6-4-10)14(15,16)17/h9-12,19H,3-8H2,1-2H3,(H,18,20)
InChIKeyDGLCTTUJYZHNGI-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.88
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-3-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide

N-(1-hydroxy-4-methylpentan-3-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 106834387) has the molecular formula C14H24F3NO2 and a molecular weight of 295.35 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID106834387
Molecular FormulaC14H24F3NO2
Molecular Weight295.35 g/mol
Exact Mass295.18
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(C)C(CCO)NC(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H24F3NO2/c1-9(2)12(7-8-19)18-13(20)10-3-5-11(6-4-10)14(15,16)17/h9-12,19H,3-8H2,1-2H3,(H,18,20)
InChIKeyDGLCTTUJYZHNGI-UHFFFAOYSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxypropyl)cyclohexanecarboxamide
CID 24285039
4,4-difluoro-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide
CID 81932865
2-cyclohexyl-N-[(3S)-1-hydroxy-4-methylpentan-3-yl]acetamide
CID 97012317
(4S)-N-ethyl-2,2-difluoro-3-hydroxy-4-methylheptanamide
CID 87104000
N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide
CID 104858285
4,4-difluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
CID 75435070
N-(3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78888004
N-(3-hydroxybutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78995390
5-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]pentanamide
CID 79199055
5-hydroxy-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 79199848
5-hydroxy-N-[2-(trifluoromethyl)cyclohexyl]pentanamide
CID 79199849
4-hydroxy-N-[4-(trifluoromethyl)cyclohexyl]butanamide
CID 79200722

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide (CID 106834387) is N-(1-hydroxy-4-methylpentan-3-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide is CC(C)C(CCO)NC(=O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is DGLCTTUJYZHNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-9(2)12(7-8-19)18-13(20)10-3-5-11(6-4-10)14(15,16)17/h9-12,19H,3-8H2,1-2H3,(H,18,20).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(1-hydroxy-4-methylpentan-3-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106834387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).