N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)acetamide

C6H10F3NO2 — CID 121358022

IUPACN-(1,1,1-trifluoro-4-hydroxybutan-2-yl)acetamide
SMILESCC(=O)NC(CCO)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-4(12)10-5(2-3-11)6(7,8)9/h5,11H,2-3H2,1H3,(H,10,12)
InChIKeyITZISYDQCMVFCU-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.44
Rot. Bonds3

About N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)acetamide

N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)acetamide (PubChem CID 121358022) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-4-hydroxybutan-2-yl)acetamide
PubChem CID121358022
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC NameN-(1,1,1-trifluoro-4-hydroxybutan-2-yl)acetamide
SMILESCC(=O)NC(CCO)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-4(12)10-5(2-3-11)6(7,8)9/h5,11H,2-3H2,1H3,(H,10,12)
InChIKeyITZISYDQCMVFCU-UHFFFAOYSA-N
XLogP0.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide
CID 121358026
ethane;N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)acetamide
CID 157037411
N-(4-hydroxybutan-2-yl)acetamide
CID 20609978
(3S)-4,4,4-trifluoro-3-hydrazinylbutan-1-ol;hydrochloride
CID 172915873
N-[(4S)-1,1,1,2,2,3,3-heptafluoroheptan-4-yl]acetamide
CID 102171914
N-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 58879224
N-[3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide
CID 135065921
(1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid
CID 87203972
5-acetamido-3-ethoxycarbothioylsulfanyl-6,6,6-trifluorohexanoic acid
CID 87529284
1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea
CID 175752863
N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)acetamide
CID 22405555
N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)acetamide?
The IUPAC name of N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)acetamide (CID 121358022) is N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)acetamide.
What is the SMILES notation for N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)acetamide?
The canonical SMILES for N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)acetamide is CC(=O)NC(CCO)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)acetamide?
The InChIKey is ITZISYDQCMVFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-4(12)10-5(2-3-11)6(7,8)9/h5,11H,2-3H2,1H3,(H,10,12).
What are the key properties of N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)acetamide?
N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)acetamide has a molecular weight of 185.14 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)acetamide is sourced from PubChem (CID 121358022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).