N-(2,2-difluoroethyl)-N-methylprop-2-en-1-amine

C6H11F2N — CID 130670085

IUPACN-(2,2-difluoroethyl)-N-methylprop-2-en-1-amine
SMILESC=CCN(C)CC(F)F
InChIInChI=1S/C6H11F2N/c1-3-4-9(2)5-6(7)8/h3,6H,1,4-5H2,2H3
InChIKeyJQZVOKSXZYIKFA-UHFFFAOYSA-N
MW135.16 g/mol
LogP1.37
Rot. Bonds4

About N-(2,2-difluoroethyl)-N-methylprop-2-en-1-amine

N-(2,2-difluoroethyl)-N-methylprop-2-en-1-amine (PubChem CID 130670085) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-methylprop-2-en-1-amine
PubChem CID130670085
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC NameN-(2,2-difluoroethyl)-N-methylprop-2-en-1-amine
SMILESC=CCN(C)CC(F)F
InChIInChI=1S/C6H11F2N/c1-3-4-9(2)5-6(7)8/h3,6H,1,4-5H2,2H3
InChIKeyJQZVOKSXZYIKFA-UHFFFAOYSA-N
XLogP1.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.37
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

Diallylmethylamine
CID 75501
2-Propen-1-amine, N,N-diethyl-
CID 79748
N-Ethyl-N-methyl-2-propen-1-amine
CID 558363
N,N-Bis(trifluoromethyl)prop-2-en-1-amine
CID 57920871
N-(3,3-difluoroallyl)-diethylamine
CID 129878552
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-2-fluoro-N-methylprop-2-en-1-amine
CID 59154992
N-ethyl-3,3-difluoro-N-methylprop-2-en-1-amine
CID 59155105
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
1,2-difluoro-N,N-dimethylprop-2-en-1-amine
CID 129207811

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-methylprop-2-en-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-N-methylprop-2-en-1-amine (CID 130670085) is N-(2,2-difluoroethyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-N-methylprop-2-en-1-amine is C=CCN(C)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-methylprop-2-en-1-amine?
The InChIKey is JQZVOKSXZYIKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N/c1-3-4-9(2)5-6(7)8/h3,6H,1,4-5H2,2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-methylprop-2-en-1-amine?
N-(2,2-difluoroethyl)-N-methylprop-2-en-1-amine has a molecular weight of 135.16 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 130670085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).