2,2-difluoro-N-methylbut-3-en-1-amine

C5H9F2N — CID 138637034

IUPAC2,2-difluoro-N-methylbut-3-en-1-amine
SMILESC=CC(F)(F)CNC
InChIInChI=1S/C5H9F2N/c1-3-5(6,7)4-8-2/h3,8H,1,4H2,2H3
InChIKeyMIIBHIYGVOPRDV-UHFFFAOYSA-N
MW121.13 g/mol
LogP1.03
Rot. Bonds3

About 2,2-difluoro-N-methylbut-3-en-1-amine

2,2-difluoro-N-methylbut-3-en-1-amine (PubChem CID 138637034) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is 2,2-difluoro-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name2,2-difluoro-N-methylbut-3-en-1-amine
PubChem CID138637034
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC Name2,2-difluoro-N-methylbut-3-en-1-amine
SMILESC=CC(F)(F)CNC
InChIInChI=1S/C5H9F2N/c1-3-5(6,7)4-8-2/h3,8H,1,4H2,2H3
InChIKeyMIIBHIYGVOPRDV-UHFFFAOYSA-N
XLogP1.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.13
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,2-Difluoropent-4-en-1-yl)(methyl)aminehydrochloride
CID 167719820
N-(2,2,2-Trifluoroethyl)but-3-EN-1-amine
CID 53404757
N-ethyl-3,4,4-trifluorobut-3-en-1-amine
CID 59154945
1,2-difluoro-N-propylbut-3-en-1-amine
CID 135274995
1-fluoro-N-methylbut-3-en-1-amine
CID 139493874
N-(trifluoromethyl)pent-4-en-1-amine
CID 139822404
1,2-difluoro-N,2-bis(trifluoromethyl)but-3-en-1-amine
CID 145199410
(Z)-4,4-difluoro-N-methylbut-1-en-1-amine
CID 155439956
(Z)-N-(2,2-difluoropropyl)but-1-en-1-amine
CID 157848159
2-fluoro-N,2-dimethylbut-3-en-1-amine
CID 170334434
N-(trifluoromethyl)but-3-en-1-amine
CID 175037920
N-(3,3,3-trifluoropropyl)but-3-en-1-amine
CID 64315379

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methylbut-3-en-1-amine?
The IUPAC name of 2,2-difluoro-N-methylbut-3-en-1-amine (CID 138637034) is 2,2-difluoro-N-methylbut-3-en-1-amine.
What is the SMILES notation for 2,2-difluoro-N-methylbut-3-en-1-amine?
The canonical SMILES for 2,2-difluoro-N-methylbut-3-en-1-amine is C=CC(F)(F)CNC.
What is the InChIKey of 2,2-difluoro-N-methylbut-3-en-1-amine?
The InChIKey is MIIBHIYGVOPRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N/c1-3-5(6,7)4-8-2/h3,8H,1,4H2,2H3.
What are the key properties of 2,2-difluoro-N-methylbut-3-en-1-amine?
2,2-difluoro-N-methylbut-3-en-1-amine has a molecular weight of 121.13 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methylbut-3-en-1-amine is sourced from PubChem (CID 138637034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).