(2Z)-1,1-difluoro-N-methylpenta-2,4-dien-2-amine

C6H9F2N — CID 135234850

IUPAC(2Z)-1,1-difluoro-N-methylpenta-2,4-dien-2-amine
SMILESC=C/C=C(\NC)C(F)F
InChIInChI=1S/C6H9F2N/c1-3-4-5(9-2)6(7)8/h3-4,6,9H,1H2,2H3/b5-4-
InChIKeyPJNZMCSKHGUKID-PLNGDYQASA-N
MW133.14 g/mol
LogP1.54
Rot. Bonds3

About (2Z)-1,1-difluoro-N-methylpenta-2,4-dien-2-amine

(2Z)-1,1-difluoro-N-methylpenta-2,4-dien-2-amine (PubChem CID 135234850) has the molecular formula C6H9F2N and a molecular weight of 133.14 g/mol. Its IUPAC name is (2Z)-1,1-difluoro-N-methylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z)-1,1-difluoro-N-methylpenta-2,4-dien-2-amine
PubChem CID135234850
Molecular FormulaC6H9F2N
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC Name(2Z)-1,1-difluoro-N-methylpenta-2,4-dien-2-amine
SMILESC=C/C=C(\NC)C(F)F
InChIInChI=1S/C6H9F2N/c1-3-4-5(9-2)6(7)8/h3-4,6,9H,1H2,2H3/b5-4-
InChIKeyPJNZMCSKHGUKID-PLNGDYQASA-N
XLogP1.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.14
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(Trifluoromethyl)-1,2-dihydropyridine
CID 19045892
6-(Difluoromethyl)-1,2-dihydropyridine
CID 70500081
(2E)-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine
CID 88890596
(2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine
CID 89073527
2-Fluoro-6-methyl-1,2-dihydropyridine
CID 90305541
(E)-4-fluoro-N-methylbut-2-en-2-amine
CID 129208250
(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine
CID 130243443
(2E)-4-fluoro-N-methylpenta-2,4-dien-2-amine
CID 130428227
(2E)-N-methyl-3-(trifluoromethyl)penta-2,4-dien-2-amine
CID 130429585
5,6-difluoro-N-methylcyclohepta-1,3,4,6-tetraen-1-amine
CID 134365755
5-fluoro-N-methylcyclohepta-1,2,4,6-tetraen-1-amine
CID 134424612
(2E)-N-(trifluoromethyl)penta-2,4-dien-2-amine
CID 135208111

Frequently Asked Questions

What is the IUPAC name of (2Z)-1,1-difluoro-N-methylpenta-2,4-dien-2-amine?
The IUPAC name of (2Z)-1,1-difluoro-N-methylpenta-2,4-dien-2-amine (CID 135234850) is (2Z)-1,1-difluoro-N-methylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2Z)-1,1-difluoro-N-methylpenta-2,4-dien-2-amine?
The canonical SMILES for (2Z)-1,1-difluoro-N-methylpenta-2,4-dien-2-amine is C=C/C=C(\NC)C(F)F.
What is the InChIKey of (2Z)-1,1-difluoro-N-methylpenta-2,4-dien-2-amine?
The InChIKey is PJNZMCSKHGUKID-PLNGDYQASA-N. The full InChI is InChI=1S/C6H9F2N/c1-3-4-5(9-2)6(7)8/h3-4,6,9H,1H2,2H3/b5-4-.
What are the key properties of (2Z)-1,1-difluoro-N-methylpenta-2,4-dien-2-amine?
(2Z)-1,1-difluoro-N-methylpenta-2,4-dien-2-amine has a molecular weight of 133.14 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1,1-difluoro-N-methylpenta-2,4-dien-2-amine is sourced from PubChem (CID 135234850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).