N-ethenyl-2,2-difluorobutan-1-amine

C6H11F2N — CID 158174047

IUPACN-ethenyl-2,2-difluorobutan-1-amine
SMILESC=CNCC(F)(F)CC
InChIInChI=1S/C6H11F2N/c1-3-6(7,8)5-9-4-2/h4,9H,2-3,5H2,1H3
InChIKeyPQFZODWNFCXEQO-UHFFFAOYSA-N
MW135.16 g/mol
LogP1.76
Rot. Bonds4

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

N-ethenyl-2,2-difluorobutan-1-amine (PubChem CID 158174047) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is N-ethenyl-2,2-difluorobutan-1-amine.

Molecular Properties

Compound NameN-ethenyl-2,2-difluorobutan-1-amine
PubChem CID158174047
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC NameN-ethenyl-2,2-difluorobutan-1-amine
SMILESC=CNCC(F)(F)CC
InChIInChI=1S/C6H11F2N/c1-3-6(7,8)5-9-4-2/h4,9H,2-3,5H2,1H3
InChIKeyPQFZODWNFCXEQO-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
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-difluorobutan-1-amine?
The IUPAC name of N-ethenyl-2,2-difluorobutan-1-amine (CID 158174047) is N-ethenyl-2,2-difluorobutan-1-amine.
What is the SMILES notation for N-ethenyl-2,2-difluorobutan-1-amine?
The canonical SMILES for N-ethenyl-2,2-difluorobutan-1-amine is C=CNCC(F)(F)CC.
What is the InChIKey of N-ethenyl-2,2-difluorobutan-1-amine?
The InChIKey is PQFZODWNFCXEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N/c1-3-6(7,8)5-9-4-2/h4,9H,2-3,5H2,1H3.
What are the key properties of N-ethenyl-2,2-difluorobutan-1-amine?
N-ethenyl-2,2-difluorobutan-1-amine has a molecular weight of 135.16 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2,2-difluorobutan-1-amine is sourced from PubChem (CID 158174047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).