N-(2,2-difluoroethyl)-N-propan-2-ylformamide

C6H11F2NO — CID 127008222

IUPACN-(2,2-difluoroethyl)-N-propan-2-ylformamide
SMILESCC(C)N(C=O)CC(F)F
InChIInChI=1S/C6H11F2NO/c1-5(2)9(4-10)3-6(7)8/h4-6H,3H2,1-2H3
InChIKeyZVVXLBQGGZHADP-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.12
Rot. Bonds4

About N-(2,2-difluoroethyl)-N-propan-2-ylformamide

N-(2,2-difluoroethyl)-N-propan-2-ylformamide (PubChem CID 127008222) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-propan-2-ylformamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-propan-2-ylformamide
PubChem CID127008222
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC NameN-(2,2-difluoroethyl)-N-propan-2-ylformamide
SMILESCC(C)N(C=O)CC(F)F
InChIInChI=1S/C6H11F2NO/c1-5(2)9(4-10)3-6(7)8/h4-6H,3H2,1-2H3
InChIKeyZVVXLBQGGZHADP-UHFFFAOYSA-N
XLogP1.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,2-difluoroethyl)-N-propan-2-ylformamide 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,N-bis(1-methylethyl)formamide
CID 75912
N,N-di(propan-2-yl)carbamoyl fluoride
CID 135080715
N-ethyl-N-propan-2-ylformamide
CID 19828862
N-(fluoromethyl)-N-propan-2-ylcarbamoyl fluoride
CID 54081738
N-ethyl-N-(2,2,2-trifluoroethyl)formamide
CID 54553159
N-(difluoromethyl)-N-propan-2-ylformamide
CID 56620564
N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 60770830
N-isopropyl-N-methyltrifluoroacetamide
CID 64592054
N-cyclopropyl-N-(2,2,2-trifluoroethyl)formamide
CID 64992143
N-propan-2-yl-N-(2,2,2-trifluoroethyl)formamide
CID 64992200
N-methyl-N-(3,3,3-trifluoropropyl)formamide
CID 65545886
N-propyl-N-(trifluoromethyl)formamide
CID 87321400

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-propan-2-ylformamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-propan-2-ylformamide (CID 127008222) is N-(2,2-difluoroethyl)-N-propan-2-ylformamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-propan-2-ylformamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-propan-2-ylformamide is CC(C)N(C=O)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-propan-2-ylformamide?
The InChIKey is ZVVXLBQGGZHADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-5(2)9(4-10)3-6(7)8/h4-6H,3H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-propan-2-ylformamide?
N-(2,2-difluoroethyl)-N-propan-2-ylformamide has a molecular weight of 151.16 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-propan-2-ylformamide is sourced from PubChem (CID 127008222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).