N-(3-amino-4-hydroxybutyl)-2,2,2-trifluoroacetamide

C6H11F3N2O2 — CID 54036101

IUPACN-(3-amino-4-hydroxybutyl)-2,2,2-trifluoroacetamide
SMILESNC(CO)CCNC(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c7-6(8,9)5(13)11-2-1-4(10)3-12/h4,12H,1-3,10H2,(H,11,13)
InChIKeyLJAZOIDXEQYILQ-UHFFFAOYSA-N
MW200.16 g/mol
LogP-0.63
Rot. Bonds4

About N-(3-amino-4-hydroxybutyl)-2,2,2-trifluoroacetamide

N-(3-amino-4-hydroxybutyl)-2,2,2-trifluoroacetamide (PubChem CID 54036101) has the molecular formula C6H11F3N2O2 and a molecular weight of 200.16 g/mol. Its IUPAC name is N-(3-amino-4-hydroxybutyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-amino-4-hydroxybutyl)-2,2,2-trifluoroacetamide
PubChem CID54036101
Molecular FormulaC6H11F3N2O2
Molecular Weight200.16 g/mol
Exact Mass200.08
IUPAC NameN-(3-amino-4-hydroxybutyl)-2,2,2-trifluoroacetamide
SMILESNC(CO)CCNC(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c7-6(8,9)5(13)11-2-1-4(10)3-12/h4,12H,1-3,10H2,(H,11,13)
InChIKeyLJAZOIDXEQYILQ-UHFFFAOYSA-N
XLogP-0.63
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Hydroxybutyl)trifluoroacetamide
CID 3586224
2,2,2-trifluoro-N-(1-hydroxybutan-2-yl)acetamide
CID 3397679
N-[(2S)-2-amino-3-hydroxypropyl]-2,2,2-trifluoroacetamide
CID 10631392
2,2,2-trifluoro-N-(5-hydroxypentan-2-yl)acetamide
CID 80291520
(R)-4-(trifluoroacetylamino)-1-pentanol
CID 86661756
2,2-difluoro-N-(1-fluoro-3-hydroxypropan-2-yl)acetamide
CID 91018474
N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)acetamide
CID 121358022
2,2,2-trifluoro-N-(1-hydroxypentan-2-yl)acetamide
CID 124004686
2,2,2-trifluoro-N-[(2R)-1-hydroxypentan-2-yl]acetamide
CID 138482682
2,2,2-trifluoro-N-[1-hydroxy-4-(4-hydroxybutylamino)butyl]acetamide
CID 139911897
2,2,2-trifluoro-N-(2-hydroxypyrrolidin-3-yl)acetamide
CID 141881955
N-(1-amino-4-hydroxybutan-2-yl)-2,2,2-trifluoroacetamide
CID 156761460

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-hydroxybutyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-amino-4-hydroxybutyl)-2,2,2-trifluoroacetamide (CID 54036101) is N-(3-amino-4-hydroxybutyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-amino-4-hydroxybutyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-amino-4-hydroxybutyl)-2,2,2-trifluoroacetamide is NC(CO)CCNC(=O)C(F)(F)F.
What is the InChIKey of N-(3-amino-4-hydroxybutyl)-2,2,2-trifluoroacetamide?
The InChIKey is LJAZOIDXEQYILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2/c7-6(8,9)5(13)11-2-1-4(10)3-12/h4,12H,1-3,10H2,(H,11,13).
What are the key properties of N-(3-amino-4-hydroxybutyl)-2,2,2-trifluoroacetamide?
N-(3-amino-4-hydroxybutyl)-2,2,2-trifluoroacetamide has a molecular weight of 200.16 g/mol, XLogP of -0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-hydroxybutyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 54036101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).