4,4,4-trifluoro-N-(4-hydroxybutan-2-yl)butanamide

C8H14F3NO2 — CID 115283442

IUPAC4,4,4-trifluoro-N-(4-hydroxybutan-2-yl)butanamide
SMILESCC(CCO)NC(=O)CCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6(3-5-13)12-7(14)2-4-8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14)
InChIKeyRSLCVDPBPAODSQ-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.22
Rot. Bonds5

About 4,4,4-trifluoro-N-(4-hydroxybutan-2-yl)butanamide

4,4,4-trifluoro-N-(4-hydroxybutan-2-yl)butanamide (PubChem CID 115283442) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(4-hydroxybutan-2-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(4-hydroxybutan-2-yl)butanamide
PubChem CID115283442
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name4,4,4-trifluoro-N-(4-hydroxybutan-2-yl)butanamide
SMILESCC(CCO)NC(=O)CCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6(3-5-13)12-7(14)2-4-8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14)
InChIKeyRSLCVDPBPAODSQ-UHFFFAOYSA-N
XLogP1.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 81047660
(2R)-4-hydroxy-2-(4,4,4-trifluorobutanoylamino)butanoic acid
CID 107823042
4,4,4-trifluoro-N-(1-hydroxy-3-methylbutan-2-yl)butanamide
CID 79252390
2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide
CID 155389000
5-chloro-N-(4-hydroxybutan-2-yl)pentanamide
CID 83177024
5-amino-N-(4-hydroxybutan-2-yl)pentanamide
CID 83177679
4-(2-aminoethyl)-N-(4-hydroxybutan-2-yl)-5,5-dimethylhexanamide
CID 83177791
N-(4,4,4-trifluorobutan-2-yl)butanamide
CID 104854905
3-(4,4,4-trifluorobutylamino)butan-1-ol
CID 83177888
N-(4-hydroxybutan-2-yl)-2-methylsulfanylacetamide
CID 115283404
N-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide
CID 83176839
4-ethoxy-N-(4-hydroxybutan-2-yl)butanamide
CID 81048367

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(4-hydroxybutan-2-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(4-hydroxybutan-2-yl)butanamide (CID 115283442) is 4,4,4-trifluoro-N-(4-hydroxybutan-2-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(4-hydroxybutan-2-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(4-hydroxybutan-2-yl)butanamide is CC(CCO)NC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(4-hydroxybutan-2-yl)butanamide?
The InChIKey is RSLCVDPBPAODSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-6(3-5-13)12-7(14)2-4-8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14).
What are the key properties of 4,4,4-trifluoro-N-(4-hydroxybutan-2-yl)butanamide?
4,4,4-trifluoro-N-(4-hydroxybutan-2-yl)butanamide has a molecular weight of 213.20 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(4-hydroxybutan-2-yl)butanamide is sourced from PubChem (CID 115283442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).