(1Z)-N-(difluoromethyl)-N,3-dimethylbuta-1,3-dien-1-amine

C7H11F2N — CID 155197555

IUPAC(1Z)-N-(difluoromethyl)-N,3-dimethylbuta-1,3-dien-1-amine
SMILESC=C(C)/C=C\N(C)C(F)F
InChIInChI=1S/C7H11F2N/c1-6(2)4-5-10(3)7(8)9/h4-5,7H,1H2,2-3H3/b5-4-
InChIKeyLVJCZWYNLFYLHH-PLNGDYQASA-N
MW147.17 g/mol
LogP2.23
Rot. Bonds3

About (1Z)-N-(difluoromethyl)-N,3-dimethylbuta-1,3-dien-1-amine

(1Z)-N-(difluoromethyl)-N,3-dimethylbuta-1,3-dien-1-amine (PubChem CID 155197555) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is (1Z)-N-(difluoromethyl)-N,3-dimethylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-N-(difluoromethyl)-N,3-dimethylbuta-1,3-dien-1-amine
PubChem CID155197555
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(1Z)-N-(difluoromethyl)-N,3-dimethylbuta-1,3-dien-1-amine
SMILESC=C(C)/C=C\N(C)C(F)F
InChIInChI=1S/C7H11F2N/c1-6(2)4-5-10(3)7(8)9/h4-5,7H,1H2,2-3H3/b5-4-
InChIKeyLVJCZWYNLFYLHH-PLNGDYQASA-N
XLogP2.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-N-(difluoromethyl)-N,3-dimethylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-N-(difluoromethyl)-N,3-dimethylbuta-1,3-dien-1-amine (CID 155197555) is (1Z)-N-(difluoromethyl)-N,3-dimethylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-N-(difluoromethyl)-N,3-dimethylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-N-(difluoromethyl)-N,3-dimethylbuta-1,3-dien-1-amine is C=C(C)/C=C\N(C)C(F)F.
What is the InChIKey of (1Z)-N-(difluoromethyl)-N,3-dimethylbuta-1,3-dien-1-amine?
The InChIKey is LVJCZWYNLFYLHH-PLNGDYQASA-N. The full InChI is InChI=1S/C7H11F2N/c1-6(2)4-5-10(3)7(8)9/h4-5,7H,1H2,2-3H3/b5-4-.
What are the key properties of (1Z)-N-(difluoromethyl)-N,3-dimethylbuta-1,3-dien-1-amine?
(1Z)-N-(difluoromethyl)-N,3-dimethylbuta-1,3-dien-1-amine has a molecular weight of 147.17 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-(difluoromethyl)-N,3-dimethylbuta-1,3-dien-1-amine is sourced from PubChem (CID 155197555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).