4-amino-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide

C6H9F5N2O2 — CID 134199888

IUPAC4-amino-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESNCC(O)C(F)(F)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H9F5N2O2/c7-5(8,9)2-13-4(15)6(10,11)3(14)1-12/h3,14H,1-2,12H2,(H,13,15)
InChIKeyUPXOZLQACVOGRS-UHFFFAOYSA-N
MW236.14 g/mol
LogP-0.38
Rot. Bonds4

About 4-amino-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide

4-amino-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 134199888) has the molecular formula C6H9F5N2O2 and a molecular weight of 236.14 g/mol. Its IUPAC name is 4-amino-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-amino-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID134199888
Molecular FormulaC6H9F5N2O2
Molecular Weight236.14 g/mol
Exact Mass236.06
IUPAC Name4-amino-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESNCC(O)C(F)(F)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H9F5N2O2/c7-5(8,9)2-13-4(15)6(10,11)3(14)1-12/h3,14H,1-2,12H2,(H,13,15)
InChIKeyUPXOZLQACVOGRS-UHFFFAOYSA-N
XLogP-0.38
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroxy-N,N'-bis(2,2,2-trifluoroethyl)butanediamide
CID 21286260
(4R)-3,3-difluoro-4-hydroxypyrrolidin-2-one
CID 58238354
3,3-Difluoro-4-hydroxypyrrolidin-2-one
CID 76711068
2,2-difluoro-3-hydroxy-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide
CID 134199911
3-hydroxy-N-(2,2,2-trifluoroethyl)propanamide
CID 146353481
3-hydroxy-N-(3,3,3-trifluoropropyl)propanamide
CID 155152835
2,2-difluoro-4-formamido-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 156300621
4-amino-2,2-difluoro-N-(2-fluoroethyl)-3-hydroxybutanamide
CID 156300664
(4R)-3,3-difluoro-4-hydroxypyrrolidin-2-one;propane
CID 159301112
4,4,4-trifluoro-3-hydroxy-N-methylbutanamide
CID 162614642
3,5-Difluoro-4-hydroxypyrrolidin-2-one
CID 166721945
4,4-difluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 169172809

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-amino-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide (CID 134199888) is 4-amino-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-amino-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-amino-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide is NCC(O)C(F)(F)C(=O)NCC(F)(F)F.
What is the InChIKey of 4-amino-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is UPXOZLQACVOGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F5N2O2/c7-5(8,9)2-13-4(15)6(10,11)3(14)1-12/h3,14H,1-2,12H2,(H,13,15).
What are the key properties of 4-amino-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
4-amino-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 236.14 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 134199888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).