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

C8H14FN — CID 139386644

IUPAC(1Z,3Z)-5-fluoro-2-methylhepta-1,3-dien-1-amine
SMILESCCC(F)/C=C\C(C)=C/N
InChIInChI=1S/C8H14FN/c1-3-8(9)5-4-7(2)6-10/h4-6,8H,3,10H2,1-2H3/b5-4-,7-6-
InChIKeyGBOYRVZHWUCMLM-RZSVFLSASA-N
MW143.20 g/mol
LogP2.15
Rot. Bonds3

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

(1Z,3Z)-5-fluoro-2-methylhepta-1,3-dien-1-amine (PubChem CID 139386644) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is (1Z,3Z)-5-fluoro-2-methylhepta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-fluoro-2-methylhepta-1,3-dien-1-amine
PubChem CID139386644
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name(1Z,3Z)-5-fluoro-2-methylhepta-1,3-dien-1-amine
SMILESCCC(F)/C=C\C(C)=C/N
InChIInChI=1S/C8H14FN/c1-3-8(9)5-4-7(2)6-10/h4-6,8H,3,10H2,1-2H3/b5-4-,7-6-
InChIKeyGBOYRVZHWUCMLM-RZSVFLSASA-N
XLogP2.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 52.15
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 (1Z,3Z)-5-fluoro-2-methylhepta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-5-fluoro-2-methylhepta-1,3-dien-1-amine (CID 139386644) is (1Z,3Z)-5-fluoro-2-methylhepta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-fluoro-2-methylhepta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-5-fluoro-2-methylhepta-1,3-dien-1-amine is CCC(F)/C=C\C(C)=C/N.
What is the InChIKey of (1Z,3Z)-5-fluoro-2-methylhepta-1,3-dien-1-amine?
The InChIKey is GBOYRVZHWUCMLM-RZSVFLSASA-N. The full InChI is InChI=1S/C8H14FN/c1-3-8(9)5-4-7(2)6-10/h4-6,8H,3,10H2,1-2H3/b5-4-,7-6-.
What are the key properties of (1Z,3Z)-5-fluoro-2-methylhepta-1,3-dien-1-amine?
(1Z,3Z)-5-fluoro-2-methylhepta-1,3-dien-1-amine has a molecular weight of 143.20 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-fluoro-2-methylhepta-1,3-dien-1-amine is sourced from PubChem (CID 139386644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).