N-(1,3-dihydroxybutan-2-yl)-2,2,2-trifluoroacetamide

C6H10F3NO3 — CID 15540004

IUPACN-(1,3-dihydroxybutan-2-yl)-2,2,2-trifluoroacetamide
SMILESCC(O)C(CO)NC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-3(12)4(2-11)10-5(13)6(7,8)9/h3-4,11-12H,2H2,1H3,(H,10,13)
InChIKeyAUNMDDDYIVMYNS-UHFFFAOYSA-N
MW201.14 g/mol
LogP-0.59
Rot. Bonds3

About N-(1,3-dihydroxybutan-2-yl)-2,2,2-trifluoroacetamide

N-(1,3-dihydroxybutan-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 15540004) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is N-(1,3-dihydroxybutan-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1,3-dihydroxybutan-2-yl)-2,2,2-trifluoroacetamide
PubChem CID15540004
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC NameN-(1,3-dihydroxybutan-2-yl)-2,2,2-trifluoroacetamide
SMILESCC(O)C(CO)NC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-3(12)4(2-11)10-5(13)6(7,8)9/h3-4,11-12H,2H2,1H3,(H,10,13)
InChIKeyAUNMDDDYIVMYNS-UHFFFAOYSA-N
XLogP-0.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-Hydroxybutan-2-yl)acetamide
CID 19845146
N-[(2S,3S)-3-hydroxybutan-2-yl]acetamide
CID 54539677
N-(2,3-dihydroxypropyl)-2,2,2-trifluoroacetamide
CID 23504043
Acetamide, 2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-methylethyl]-
CID 13774518
N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 12497496
2,2,2-trifluoro-N-(1-hydroxybutan-2-yl)acetamide
CID 3397679
(2R)-2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide
CID 10942889
2,2,2-Trifluoro-N-(1-hydroxypropan-2-yl)acetamide
CID 13774517
2-Trifluoroacetylamino-1,3-propanediol
CID 15540009
N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide
CID 21743803
N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)acetamide
CID 22405555
N-((2R,3R)-1,3-Dihydroxybutan-2-YL)-2,2,2-trifluoroacetamide
CID 53662867

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxybutan-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1,3-dihydroxybutan-2-yl)-2,2,2-trifluoroacetamide (CID 15540004) is N-(1,3-dihydroxybutan-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1,3-dihydroxybutan-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1,3-dihydroxybutan-2-yl)-2,2,2-trifluoroacetamide is CC(O)C(CO)NC(=O)C(F)(F)F.
What is the InChIKey of N-(1,3-dihydroxybutan-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is AUNMDDDYIVMYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c1-3(12)4(2-11)10-5(13)6(7,8)9/h3-4,11-12H,2H2,1H3,(H,10,13).
What are the key properties of N-(1,3-dihydroxybutan-2-yl)-2,2,2-trifluoroacetamide?
N-(1,3-dihydroxybutan-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 201.14 g/mol, XLogP of -0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxybutan-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 15540004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).