(3Z)-4-ethenyl-3-fluoro-5-methylhepta-1,3-dien-2-amine

C10H16FN — CID 138612893

IUPAC(3Z)-4-ethenyl-3-fluoro-5-methylhepta-1,3-dien-2-amine
SMILESC=C/C(=C(/F)C(=C)N)C(C)CC
InChIInChI=1S/C10H16FN/c1-5-7(3)9(6-2)10(11)8(4)12/h6-7H,2,4-5,12H2,1,3H3/b10-9-
InChIKeyVKYAOQLMHBCJDI-KTKRTIGZSA-N
MW169.24 g/mol
LogP2.91
Rot. Bonds4

About (3Z)-4-ethenyl-3-fluoro-5-methylhepta-1,3-dien-2-amine

(3Z)-4-ethenyl-3-fluoro-5-methylhepta-1,3-dien-2-amine (PubChem CID 138612893) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (3Z)-4-ethenyl-3-fluoro-5-methylhepta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-4-ethenyl-3-fluoro-5-methylhepta-1,3-dien-2-amine
PubChem CID138612893
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(3Z)-4-ethenyl-3-fluoro-5-methylhepta-1,3-dien-2-amine
SMILESC=C/C(=C(/F)C(=C)N)C(C)CC
InChIInChI=1S/C10H16FN/c1-5-7(3)9(6-2)10(11)8(4)12/h6-7H,2,4-5,12H2,1,3H3/b10-9-
InChIKeyVKYAOQLMHBCJDI-KTKRTIGZSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-ethenyl-3-fluoro-5-methylhepta-1,3-dien-2-amine?
The IUPAC name of (3Z)-4-ethenyl-3-fluoro-5-methylhepta-1,3-dien-2-amine (CID 138612893) is (3Z)-4-ethenyl-3-fluoro-5-methylhepta-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-4-ethenyl-3-fluoro-5-methylhepta-1,3-dien-2-amine?
The canonical SMILES for (3Z)-4-ethenyl-3-fluoro-5-methylhepta-1,3-dien-2-amine is C=C/C(=C(/F)C(=C)N)C(C)CC.
What is the InChIKey of (3Z)-4-ethenyl-3-fluoro-5-methylhepta-1,3-dien-2-amine?
The InChIKey is VKYAOQLMHBCJDI-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H16FN/c1-5-7(3)9(6-2)10(11)8(4)12/h6-7H,2,4-5,12H2,1,3H3/b10-9-.
What are the key properties of (3Z)-4-ethenyl-3-fluoro-5-methylhepta-1,3-dien-2-amine?
(3Z)-4-ethenyl-3-fluoro-5-methylhepta-1,3-dien-2-amine has a molecular weight of 169.24 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-ethenyl-3-fluoro-5-methylhepta-1,3-dien-2-amine is sourced from PubChem (CID 138612893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).