1,1-difluoro-N-prop-2-enylpropan-2-amine

C6H11F2N — CID 102867628

IUPAC1,1-difluoro-N-prop-2-enylpropan-2-amine
SMILESC=CCNC(C)C(F)F
InChIInChI=1S/C6H11F2N/c1-3-4-9-5(2)6(7)8/h3,5-6,9H,1,4H2,2H3
InChIKeyQZFFHECBZIWDHK-UHFFFAOYSA-N
MW135.16 g/mol
LogP1.42
Rot. Bonds4

About 1,1-difluoro-N-prop-2-enylpropan-2-amine

1,1-difluoro-N-prop-2-enylpropan-2-amine (PubChem CID 102867628) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is 1,1-difluoro-N-prop-2-enylpropan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-prop-2-enylpropan-2-amine
PubChem CID102867628
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name1,1-difluoro-N-prop-2-enylpropan-2-amine
SMILESC=CCNC(C)C(F)F
InChIInChI=1S/C6H11F2N/c1-3-4-9-5(2)6(7)8/h3,5-6,9H,1,4H2,2H3
InChIKeyQZFFHECBZIWDHK-UHFFFAOYSA-N
XLogP1.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1-difluoro-N-prop-2-enylpropan-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

(Prop-2-en-1-yl)(propan-2-yl)amine
CID 520711
(Prop-2-en-1-yl)(propan-2-yl)amine hydrochloride
CID 20193692
(Prop-2-en-1-yl)(2,2,2-trifluoroethyl)amine
CID 28563252
(Prop-2-en-1-yl)(2,2,2-trifluoroethyl)amine hydrochloride
CID 45792127
N-[(E)-3-fluoroprop-2-enyl]butan-2-amine
CID 23199520
1,1,1-trifluoro-N-methylbut-3-en-2-amine
CID 55283620
N-ethyl-3,3-difluoroprop-2-en-1-amine
CID 59155019
N-(2,2-difluoroethyl)prop-2-en-1-amine
CID 60923061
3-fluoro-N-methylprop-2-en-1-amine
CID 73664751
N-(2-fluoroethyl)prop-2-en-1-amine
CID 80699895
2-fluoro-N-prop-2-enylpropan-1-amine
CID 87214953
(E)-3-fluoro-N-propylprop-2-en-1-amine
CID 88093458

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-prop-2-enylpropan-2-amine?
The IUPAC name of 1,1-difluoro-N-prop-2-enylpropan-2-amine (CID 102867628) is 1,1-difluoro-N-prop-2-enylpropan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-prop-2-enylpropan-2-amine?
The canonical SMILES for 1,1-difluoro-N-prop-2-enylpropan-2-amine is C=CCNC(C)C(F)F.
What is the InChIKey of 1,1-difluoro-N-prop-2-enylpropan-2-amine?
The InChIKey is QZFFHECBZIWDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N/c1-3-4-9-5(2)6(7)8/h3,5-6,9H,1,4H2,2H3.
What are the key properties of 1,1-difluoro-N-prop-2-enylpropan-2-amine?
1,1-difluoro-N-prop-2-enylpropan-2-amine has a molecular weight of 135.16 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-prop-2-enylpropan-2-amine is sourced from PubChem (CID 102867628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).