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

C7H13F2N — CID 168995076

IUPAC2,2-difluoro-N-methyl-N-prop-2-enylpropan-1-amine
SMILESC=CCN(C)CC(C)(F)F
InChIInChI=1S/C7H13F2N/c1-4-5-10(3)6-7(2,8)9/h4H,1,5-6H2,2-3H3
InChIKeyRZQLHOKTUWYGPK-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.76
Rot. Bonds4

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

2,2-difluoro-N-methyl-N-prop-2-enylpropan-1-amine (PubChem CID 168995076) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-N-prop-2-enylpropan-1-amine
PubChem CID168995076
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name2,2-difluoro-N-methyl-N-prop-2-enylpropan-1-amine
SMILESC=CCN(C)CC(C)(F)F
InChIInChI=1S/C7H13F2N/c1-4-5-10(3)6-7(2,8)9/h4H,1,5-6H2,2-3H3
InChIKeyRZQLHOKTUWYGPK-UHFFFAOYSA-N
XLogP1.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-difluoroallyl)-diethylamine
CID 129878552
Methyl(prop-2-en-1-yl)propylamine
CID 54128124
1,1,2,3,3,3-hexafluoro-N,N-bis(prop-2-enyl)propan-1-amine
CID 13569481
N-methyl-N-(trifluoromethyl)prop-2-en-1-amine
CID 58019336
N-ethyl-3,3-difluoro-N-methylprop-2-en-1-amine
CID 59155105
3-Methyl-1-(trifluoromethyl)-2,5-dihydropyrrole
CID 68350116
N-prop-2-enyl-N-(trifluoromethyl)prop-2-en-1-amine
CID 88598252
1,1-difluoro-N,N-dimethylprop-2-en-1-amine
CID 121361161
1-Methyl-3-(trifluoromethyl)-2,5-dihydropyrrole
CID 123870416
N-(2,2-difluoroethyl)-N-methylprop-2-en-1-amine
CID 130670085
N-(2-fluoroethyl)-N-methylprop-2-en-1-amine
CID 131108623
(2R)-N-(2,2-difluoropropyl)-N-methylbut-3-en-2-amine
CID 134269934

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2,2-difluoro-N-methyl-N-prop-2-enylpropan-1-amine (CID 168995076) is 2,2-difluoro-N-methyl-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2,2-difluoro-N-methyl-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2,2-difluoro-N-methyl-N-prop-2-enylpropan-1-amine is C=CCN(C)CC(C)(F)F.
What is the InChIKey of 2,2-difluoro-N-methyl-N-prop-2-enylpropan-1-amine?
The InChIKey is RZQLHOKTUWYGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c1-4-5-10(3)6-7(2,8)9/h4H,1,5-6H2,2-3H3.
What are the key properties of 2,2-difluoro-N-methyl-N-prop-2-enylpropan-1-amine?
2,2-difluoro-N-methyl-N-prop-2-enylpropan-1-amine has a molecular weight of 149.18 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 168995076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).