N-ethenyl-2,2-difluoropropan-1-amine

C5H9F2N — CID 158174045

IUPACN-ethenyl-2,2-difluoropropan-1-amine
SMILESC=CNCC(C)(F)F
InChIInChI=1S/C5H9F2N/c1-3-8-4-5(2,6)7/h3,8H,1,4H2,2H3
InChIKeyBVVPNVZPUTWIBY-UHFFFAOYSA-N
MW121.13 g/mol
LogP1.37
Rot. Bonds3

About N-ethenyl-2,2-difluoropropan-1-amine

N-ethenyl-2,2-difluoropropan-1-amine (PubChem CID 158174045) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is N-ethenyl-2,2-difluoropropan-1-amine.

Molecular Properties

Compound NameN-ethenyl-2,2-difluoropropan-1-amine
PubChem CID158174045
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC NameN-ethenyl-2,2-difluoropropan-1-amine
SMILESC=CNCC(C)(F)F
InChIInChI=1S/C5H9F2N/c1-3-8-4-5(2,6)7/h3,8H,1,4H2,2H3
InChIKeyBVVPNVZPUTWIBY-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2,2-difluoropropan-1-amine?
The IUPAC name of N-ethenyl-2,2-difluoropropan-1-amine (CID 158174045) is N-ethenyl-2,2-difluoropropan-1-amine.
What is the SMILES notation for N-ethenyl-2,2-difluoropropan-1-amine?
The canonical SMILES for N-ethenyl-2,2-difluoropropan-1-amine is C=CNCC(C)(F)F.
What is the InChIKey of N-ethenyl-2,2-difluoropropan-1-amine?
The InChIKey is BVVPNVZPUTWIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N/c1-3-8-4-5(2,6)7/h3,8H,1,4H2,2H3.
What are the key properties of N-ethenyl-2,2-difluoropropan-1-amine?
N-ethenyl-2,2-difluoropropan-1-amine has a molecular weight of 121.13 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2,2-difluoropropan-1-amine is sourced from PubChem (CID 158174045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).