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

C7H11F5N2O2 — CID 134199911

IUPAC2,2-difluoro-3-hydroxy-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCNCC(O)C(F)(F)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H11F5N2O2/c1-13-2-4(15)7(11,12)5(16)14-3-6(8,9)10/h4,13,15H,2-3H2,1H3,(H,14,16)
InChIKeyPWTHLDSPVKQHQP-UHFFFAOYSA-N
MW250.17 g/mol
LogP-0.12
Rot. Bonds5

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

2,2-difluoro-3-hydroxy-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 134199911) has the molecular formula C7H11F5N2O2 and a molecular weight of 250.17 g/mol. Its IUPAC name is 2,2-difluoro-3-hydroxy-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2,2-difluoro-3-hydroxy-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID134199911
Molecular FormulaC7H11F5N2O2
Molecular Weight250.17 g/mol
Exact Mass250.07
IUPAC Name2,2-difluoro-3-hydroxy-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCNCC(O)C(F)(F)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H11F5N2O2/c1-13-2-4(15)7(11,12)5(16)14-3-6(8,9)10/h4,13,15H,2-3H2,1H3,(H,14,16)
InChIKeyPWTHLDSPVKQHQP-UHFFFAOYSA-N
XLogP-0.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

n-Ethylmalamide
CID 53971596
2,3-dihydroxy-N,N'-bis(2,2,2-trifluoroethyl)butanediamide
CID 21286260
2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 57208486
(4R)-3,3-difluoro-4-hydroxypyrrolidin-2-one
CID 58238354
3,3-Difluoro-4-hydroxypyrrolidin-2-one
CID 76711068
N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 103726161
4-amino-3,3-difluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide
CID 123231332
4-amino-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 134199888
N-(4,4,4-trifluoro-2-hydroxybutyl)propanamide
CID 155183390
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

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-hydroxy-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2,2-difluoro-3-hydroxy-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide (CID 134199911) is 2,2-difluoro-3-hydroxy-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2,2-difluoro-3-hydroxy-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2,2-difluoro-3-hydroxy-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide is CNCC(O)C(F)(F)C(=O)NCC(F)(F)F.
What is the InChIKey of 2,2-difluoro-3-hydroxy-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is PWTHLDSPVKQHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5N2O2/c1-13-2-4(15)7(11,12)5(16)14-3-6(8,9)10/h4,13,15H,2-3H2,1H3,(H,14,16).
What are the key properties of 2,2-difluoro-3-hydroxy-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide?
2,2-difluoro-3-hydroxy-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 250.17 g/mol, XLogP of -0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-hydroxy-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 134199911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).