(Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine

C9H18F2N2 — CID 153357913

IUPAC(Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine
SMILESCCCC/C(N)=C(/NC)C(C)(F)F
InChIInChI=1S/C9H18F2N2/c1-4-5-6-7(12)8(13-3)9(2,10)11/h13H,4-6,12H2,1-3H3/b8-7-
InChIKeyJVJRVKLCIWQINQ-FPLPWBNLSA-N
MW192.25 g/mol
LogP2.22
Rot. Bonds5

About (Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine

(Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine (PubChem CID 153357913) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is (Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine.

Molecular Properties

Compound Name(Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine
PubChem CID153357913
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name(Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine
SMILESCCCC/C(N)=C(/NC)C(C)(F)F
InChIInChI=1S/C9H18F2N2/c1-4-5-6-7(12)8(13-3)9(2,10)11/h13H,4-6,12H2,1-3H3/b8-7-
InChIKeyJVJRVKLCIWQINQ-FPLPWBNLSA-N
XLogP2.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine?
The IUPAC name of (Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine (CID 153357913) is (Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine.
What is the SMILES notation for (Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine?
The canonical SMILES for (Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine is CCCC/C(N)=C(/NC)C(C)(F)F.
What is the InChIKey of (Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine?
The InChIKey is JVJRVKLCIWQINQ-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-4-5-6-7(12)8(13-3)9(2,10)11/h13H,4-6,12H2,1-3H3/b8-7-.
What are the key properties of (Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine?
(Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine has a molecular weight of 192.25 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine is sourced from PubChem (CID 153357913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).