(Z)-1,1-difluoro-2-N-methylpent-2-ene-2,3-diamine

C6H12F2N2 — CID 177327776

IUPAC(Z)-1,1-difluoro-2-N-methylpent-2-ene-2,3-diamine
SMILESCC/C(N)=C(/NC)C(F)F
InChIInChI=1S/C6H12F2N2/c1-3-4(9)5(10-2)6(7)8/h6,10H,3,9H2,1-2H3/b5-4-
InChIKeyJQDIAOQBZFHMSZ-PLNGDYQASA-N
MW150.17 g/mol
LogP1.05
Rot. Bonds3

About (Z)-1,1-difluoro-2-N-methylpent-2-ene-2,3-diamine

(Z)-1,1-difluoro-2-N-methylpent-2-ene-2,3-diamine (PubChem CID 177327776) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is (Z)-1,1-difluoro-2-N-methylpent-2-ene-2,3-diamine.

Molecular Properties

Compound Name(Z)-1,1-difluoro-2-N-methylpent-2-ene-2,3-diamine
PubChem CID177327776
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC Name(Z)-1,1-difluoro-2-N-methylpent-2-ene-2,3-diamine
SMILESCC/C(N)=C(/NC)C(F)F
InChIInChI=1S/C6H12F2N2/c1-3-4(9)5(10-2)6(7)8/h6,10H,3,9H2,1-2H3/b5-4-
InChIKeyJQDIAOQBZFHMSZ-PLNGDYQASA-N
XLogP1.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1-difluoro-2-N-methylpent-2-ene-2,3-diamine?
The IUPAC name of (Z)-1,1-difluoro-2-N-methylpent-2-ene-2,3-diamine (CID 177327776) is (Z)-1,1-difluoro-2-N-methylpent-2-ene-2,3-diamine.
What is the SMILES notation for (Z)-1,1-difluoro-2-N-methylpent-2-ene-2,3-diamine?
The canonical SMILES for (Z)-1,1-difluoro-2-N-methylpent-2-ene-2,3-diamine is CC/C(N)=C(/NC)C(F)F.
What is the InChIKey of (Z)-1,1-difluoro-2-N-methylpent-2-ene-2,3-diamine?
The InChIKey is JQDIAOQBZFHMSZ-PLNGDYQASA-N. The full InChI is InChI=1S/C6H12F2N2/c1-3-4(9)5(10-2)6(7)8/h6,10H,3,9H2,1-2H3/b5-4-.
What are the key properties of (Z)-1,1-difluoro-2-N-methylpent-2-ene-2,3-diamine?
(Z)-1,1-difluoro-2-N-methylpent-2-ene-2,3-diamine has a molecular weight of 150.17 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1-difluoro-2-N-methylpent-2-ene-2,3-diamine is sourced from PubChem (CID 177327776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).