N-(1,1-difluoropropan-2-yl)-2-methylprop-2-en-1-amine

C7H13F2N — CID 102870155

IUPACN-(1,1-difluoropropan-2-yl)-2-methylprop-2-en-1-amine
SMILESC=C(C)CNC(C)C(F)F
InChIInChI=1S/C7H13F2N/c1-5(2)4-10-6(3)7(8)9/h6-7,10H,1,4H2,2-3H3
InChIKeyHWOVAKRJROTDHQ-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.81
Rot. Bonds4

About N-(1,1-difluoropropan-2-yl)-2-methylprop-2-en-1-amine

N-(1,1-difluoropropan-2-yl)-2-methylprop-2-en-1-amine (PubChem CID 102870155) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-2-methylprop-2-en-1-amine
PubChem CID102870155
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC NameN-(1,1-difluoropropan-2-yl)-2-methylprop-2-en-1-amine
SMILESC=C(C)CNC(C)C(F)F
InChIInChI=1S/C7H13F2N/c1-5(2)4-10-6(3)7(8)9/h6-7,10H,1,4H2,2-3H3
InChIKeyHWOVAKRJROTDHQ-UHFFFAOYSA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1,1-difluoropropan-2-yl)-2-methylprop-2-en-1-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-(2-chloroprop-2-enyl)-1,1-difluoropropan-2-amine
CID 102870047
(2R,3S)-3-methyl-N-(2-methylprop-2-enyl)pentan-2-amine
CID 94400360
2-(1,1-difluoropropan-2-ylamino)-N-ethyl-N-methylacetamide
CID 107644951
4-methyl-2-(2-methylprop-2-enylamino)pentan-1-ol
CID 62331701
4-(1,1-difluoropropan-2-ylamino)butan-2-ol
CID 102869648
N-(1,1-difluoropropan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102903901
2-methyl-N-(2-methylprop-2-enyl)propan-1-amine
CID 20518350
N'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine
CID 102869079
2-methyl-N-(1-phenylethyl)prop-2-en-1-amine
CID 60684137
3-(1,1-difluoropropan-2-ylamino)-2,2-dimethylpropan-1-ol
CID 102869912
6-(1,1-difluoropropan-2-ylamino)hexan-1-ol
CID 107849401
2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]prop-2-en-1-amine
CID 115900097

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-2-methylprop-2-en-1-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-2-methylprop-2-en-1-amine (CID 102870155) is N-(1,1-difluoropropan-2-yl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-2-methylprop-2-en-1-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-2-methylprop-2-en-1-amine is C=C(C)CNC(C)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-2-methylprop-2-en-1-amine?
The InChIKey is HWOVAKRJROTDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c1-5(2)4-10-6(3)7(8)9/h6-7,10H,1,4H2,2-3H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-2-methylprop-2-en-1-amine?
N-(1,1-difluoropropan-2-yl)-2-methylprop-2-en-1-amine has a molecular weight of 149.18 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 102870155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).