N-[2-(1,1-difluoropropan-2-yl)phenyl]formamide

C10H11F2NO — CID 142226533

IUPACN-[2-(1,1-difluoropropan-2-yl)phenyl]formamide
SMILESCC(c1ccccc1NC=O)C(F)F
InChIInChI=1S/C10H11F2NO/c1-7(10(11)12)8-4-2-3-5-9(8)13-6-14/h2-7,10H,1H3,(H,13,14)
InChIKeyAJBHVEXPWWDBQG-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.62
Rot. Bonds4

About N-[2-(1,1-difluoropropan-2-yl)phenyl]formamide

N-[2-(1,1-difluoropropan-2-yl)phenyl]formamide (PubChem CID 142226533) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is N-[2-(1,1-difluoropropan-2-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[2-(1,1-difluoropropan-2-yl)phenyl]formamide
PubChem CID142226533
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC NameN-[2-(1,1-difluoropropan-2-yl)phenyl]formamide
SMILESCC(c1ccccc1NC=O)C(F)F
InChIInChI=1S/C10H11F2NO/c1-7(10(11)12)8-4-2-3-5-9(8)13-6-14/h2-7,10H,1H3,(H,13,14)
InChIKeyAJBHVEXPWWDBQG-UHFFFAOYSA-N
XLogP2.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-(1,1-difluoropropan-2-yl)phenyl]formamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-difluoropropan-2-yl)phenyl]formamide?
The IUPAC name of N-[2-(1,1-difluoropropan-2-yl)phenyl]formamide (CID 142226533) is N-[2-(1,1-difluoropropan-2-yl)phenyl]formamide.
What is the SMILES notation for N-[2-(1,1-difluoropropan-2-yl)phenyl]formamide?
The canonical SMILES for N-[2-(1,1-difluoropropan-2-yl)phenyl]formamide is CC(c1ccccc1NC=O)C(F)F.
What is the InChIKey of N-[2-(1,1-difluoropropan-2-yl)phenyl]formamide?
The InChIKey is AJBHVEXPWWDBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-7(10(11)12)8-4-2-3-5-9(8)13-6-14/h2-7,10H,1H3,(H,13,14).
What are the key properties of N-[2-(1,1-difluoropropan-2-yl)phenyl]formamide?
N-[2-(1,1-difluoropropan-2-yl)phenyl]formamide has a molecular weight of 199.20 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-difluoropropan-2-yl)phenyl]formamide is sourced from PubChem (CID 142226533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).