N-[(1S,3S)-1-cyclohexyl-3-hydroxybutyl]-2,2,2-trifluoroacetamide

C12H20F3NO2 — CID 101197525

IUPACN-[(1S,3S)-1-cyclohexyl-3-hydroxybutyl]-2,2,2-trifluoroacetamide
SMILESC[C@H](O)C[C@H](NC(=O)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H20F3NO2/c1-8(17)7-10(9-5-3-2-4-6-9)16-11(18)12(13,14)15/h8-10,17H,2-7H2,1H3,(H,16,18)/t8-,10-/m0/s1
InChIKeyWOCHTJOBURVWLI-WPRPVWTQSA-N
MW267.29 g/mol
LogP2.38
Rot. Bonds4

About N-[(1S,3S)-1-cyclohexyl-3-hydroxybutyl]-2,2,2-trifluoroacetamide

N-[(1S,3S)-1-cyclohexyl-3-hydroxybutyl]-2,2,2-trifluoroacetamide (PubChem CID 101197525) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[(1S,3S)-1-cyclohexyl-3-hydroxybutyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1S,3S)-1-cyclohexyl-3-hydroxybutyl]-2,2,2-trifluoroacetamide
PubChem CID101197525
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-[(1S,3S)-1-cyclohexyl-3-hydroxybutyl]-2,2,2-trifluoroacetamide
SMILESC[C@H](O)C[C@H](NC(=O)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H20F3NO2/c1-8(17)7-10(9-5-3-2-4-6-9)16-11(18)12(13,14)15/h8-10,17H,2-7H2,1H3,(H,16,18)/t8-,10-/m0/s1
InChIKeyWOCHTJOBURVWLI-WPRPVWTQSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(7-hydroxy-6-methyl-octyl)-acetamide
CID 163116185
4,4,4-trifluoro-N-[(1R*)-1-(trans-3-hydroxycyclobutyl)propyl]butanamide
CID 91768221
4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-(2-methylpropyl)pentanamide
CID 14277664
N-(4-amino-2,2-difluoro-3-hydroxy-5-methylhexyl)acetamide
CID 14720108
N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)-3-methylbutanamide
CID 14720132
N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)-4-methylpentanamide
CID 20027186
N-[(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl]-4-methylpentanamide
CID 57028439
[1-(4,4-Difluorocyclohexyl)-1-hydroxypropan-2-yl]carbamic acid
CID 69262808
2,2,2-trifluoro-N-[4-(hydroxymethyl)cyclohexyl]acetamide
CID 85710120
2-fluoro-N-[2-[4-(2-hydroxyethyl)cyclohexyl]ethyl]acetamide
CID 141442200
2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)cyclohexyl]ethyl]acetamide
CID 154630327
N-[2-(1,2-dihydroxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide
CID 155484151

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-1-cyclohexyl-3-hydroxybutyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1S,3S)-1-cyclohexyl-3-hydroxybutyl]-2,2,2-trifluoroacetamide (CID 101197525) is N-[(1S,3S)-1-cyclohexyl-3-hydroxybutyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1S,3S)-1-cyclohexyl-3-hydroxybutyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1S,3S)-1-cyclohexyl-3-hydroxybutyl]-2,2,2-trifluoroacetamide is C[C@H](O)C[C@H](NC(=O)C(F)(F)F)C1CCCCC1.
What is the InChIKey of N-[(1S,3S)-1-cyclohexyl-3-hydroxybutyl]-2,2,2-trifluoroacetamide?
The InChIKey is WOCHTJOBURVWLI-WPRPVWTQSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-8(17)7-10(9-5-3-2-4-6-9)16-11(18)12(13,14)15/h8-10,17H,2-7H2,1H3,(H,16,18)/t8-,10-/m0/s1.
What are the key properties of N-[(1S,3S)-1-cyclohexyl-3-hydroxybutyl]-2,2,2-trifluoroacetamide?
N-[(1S,3S)-1-cyclohexyl-3-hydroxybutyl]-2,2,2-trifluoroacetamide has a molecular weight of 267.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-1-cyclohexyl-3-hydroxybutyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 101197525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).