N-(2-chloroprop-2-enyl)-1,1-difluoropropan-2-amine

C6H10ClF2N — CID 102870047

IUPACN-(2-chloroprop-2-enyl)-1,1-difluoropropan-2-amine
SMILESC=C(Cl)CNC(C)C(F)F
InChIInChI=1S/C6H10ClF2N/c1-4(7)3-10-5(2)6(8)9/h5-6,10H,1,3H2,2H3
InChIKeyUOKJUKHXENPDJN-UHFFFAOYSA-N
MW169.60 g/mol
LogP1.98
Rot. Bonds4

About N-(2-chloroprop-2-enyl)-1,1-difluoropropan-2-amine

N-(2-chloroprop-2-enyl)-1,1-difluoropropan-2-amine (PubChem CID 102870047) has the molecular formula C6H10ClF2N and a molecular weight of 169.60 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-1,1-difluoropropan-2-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-1,1-difluoropropan-2-amine
PubChem CID102870047
Molecular FormulaC6H10ClF2N
Molecular Weight169.60 g/mol
Exact Mass169.05
IUPAC NameN-(2-chloroprop-2-enyl)-1,1-difluoropropan-2-amine
SMILESC=C(Cl)CNC(C)C(F)F
InChIInChI=1S/C6H10ClF2N/c1-4(7)3-10-5(2)6(8)9/h5-6,10H,1,3H2,2H3
InChIKeyUOKJUKHXENPDJN-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.60
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-chloroprop-2-enyl)-1,1-difluoropropan-2-amine 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-(1,1-difluoropropan-2-yl)-2-methylprop-2-en-1-amine
CID 102870155
3-(2-chloroprop-2-enylamino)butan-1-ol
CID 83176226
N-(2-chloroprop-2-enyl)-1-ethylsulfonylpropan-2-amine
CID 115901350
2-chloro-N-[(1S)-1-cyclopentylethyl]prop-2-en-1-amine
CID 81394329
N-(2-chloroprop-2-enyl)hexan-2-amine
CID 62198931
2-(1,1-difluoropropan-2-ylamino)-N-ethyl-N-methylacetamide
CID 107644951
4-(1,1-difluoropropan-2-ylamino)butan-2-ol
CID 102869648
N-(2-chloroprop-2-enyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61474181
methyl 4-(2-chloroprop-2-enylamino)-2-methylpentanoate
CID 104646630
2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine
CID 81365572
N-(2-chloroprop-2-enyl)-2,3-dimethylbutan-1-amine
CID 64568928
(2R,3S)-3-methyl-N-(2-methylprop-2-enyl)pentan-2-amine
CID 94400360

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-1,1-difluoropropan-2-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-1,1-difluoropropan-2-amine (CID 102870047) is N-(2-chloroprop-2-enyl)-1,1-difluoropropan-2-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-1,1-difluoropropan-2-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-1,1-difluoropropan-2-amine is C=C(Cl)CNC(C)C(F)F.
What is the InChIKey of N-(2-chloroprop-2-enyl)-1,1-difluoropropan-2-amine?
The InChIKey is UOKJUKHXENPDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF2N/c1-4(7)3-10-5(2)6(8)9/h5-6,10H,1,3H2,2H3.
What are the key properties of N-(2-chloroprop-2-enyl)-1,1-difluoropropan-2-amine?
N-(2-chloroprop-2-enyl)-1,1-difluoropropan-2-amine has a molecular weight of 169.60 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-1,1-difluoropropan-2-amine is sourced from PubChem (CID 102870047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).