N-(2,2-difluoro-3-hydroxypropyl)formamide

C4H7F2NO2 — CID 106168435

IUPACN-(2,2-difluoro-3-hydroxypropyl)formamide
SMILESO=CNCC(F)(F)CO
InChIInChI=1S/C4H7F2NO2/c5-4(6,2-8)1-7-3-9/h3,8H,1-2H2,(H,7,9)
InChIKeyKEXPOGKNTQYBRB-UHFFFAOYSA-N
MW139.10 g/mol
LogP-0.64
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)formamide

N-(2,2-difluoro-3-hydroxypropyl)formamide (PubChem CID 106168435) has the molecular formula C4H7F2NO2 and a molecular weight of 139.10 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)formamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)formamide
PubChem CID106168435
Molecular FormulaC4H7F2NO2
Molecular Weight139.10 g/mol
Exact Mass139.04
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)formamide
SMILESO=CNCC(F)(F)CO
InChIInChI=1S/C4H7F2NO2/c5-4(6,2-8)1-7-3-9/h3,8H,1-2H2,(H,7,9)
InChIKeyKEXPOGKNTQYBRB-UHFFFAOYSA-N
XLogP-0.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.10
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(2,2-difluoro-3-hydroxypropyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-Hydroxypropyl)trifluoroacetamide
CID 1987732
N-(3-hydroxypropyl)formamide
CID 13586013
(2,2-Difluoro-3-hydroxypropyl)carbamic acid
CID 17871502
N-(3-hydroxypropyl)-N-(trifluoromethyl)formamide
CID 87321686
N-(difluoromethyl)-N-(3-hydroxypropyl)formamide
CID 87322077
N-(2-fluoro-3-hydroxypropyl)formamide
CID 145610712
[(1S)-3,3,3-trifluoro-1-hydroxypropyl]carbamic acid
CID 152088629
N-[3,3,3-trifluoro-2-(hydroxymethyl)propyl]formamide
CID 167018216
2,2-difluoro-N-(3-hydroxypropyl)acetamide
CID 103513877
(2,2-Difluoro-3-hydroxypropyl)urea
CID 104859028
N-(2,2-difluoro-3-hydroxypropyl)-2,2,2-trifluoroacetamide
CID 104862762
N-(2,2-difluoro-3-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide
CID 104862900

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)formamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)formamide (CID 106168435) is N-(2,2-difluoro-3-hydroxypropyl)formamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)formamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)formamide is O=CNCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)formamide?
The InChIKey is KEXPOGKNTQYBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO2/c5-4(6,2-8)1-7-3-9/h3,8H,1-2H2,(H,7,9).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)formamide?
N-(2,2-difluoro-3-hydroxypropyl)formamide has a molecular weight of 139.10 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)formamide is sourced from PubChem (CID 106168435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).