(5Z)-4-fluoro-7-methylocta-1,5-dien-2-amine

C9H16FN — CID 88905582

IUPAC(5Z)-4-fluoro-7-methylocta-1,5-dien-2-amine
SMILESC=C(N)CC(F)/C=C\C(C)C
InChIInChI=1S/C9H16FN/c1-7(2)4-5-9(10)6-8(3)11/h4-5,7,9H,3,6,11H2,1-2H3/b5-4-
InChIKeyRCRVEVVZCKRDMV-PLNGDYQASA-N
MW157.23 g/mol
LogP2.40
Rot. Bonds4

About (5Z)-4-fluoro-7-methylocta-1,5-dien-2-amine

(5Z)-4-fluoro-7-methylocta-1,5-dien-2-amine (PubChem CID 88905582) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (5Z)-4-fluoro-7-methylocta-1,5-dien-2-amine.

Molecular Properties

Compound Name(5Z)-4-fluoro-7-methylocta-1,5-dien-2-amine
PubChem CID88905582
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(5Z)-4-fluoro-7-methylocta-1,5-dien-2-amine
SMILESC=C(N)CC(F)/C=C\C(C)C
InChIInChI=1S/C9H16FN/c1-7(2)4-5-9(10)6-8(3)11/h4-5,7,9H,3,6,11H2,1-2H3/b5-4-
InChIKeyRCRVEVVZCKRDMV-PLNGDYQASA-N
XLogP2.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-fluoro-7-methylocta-1,5-dien-2-amine?
The IUPAC name of (5Z)-4-fluoro-7-methylocta-1,5-dien-2-amine (CID 88905582) is (5Z)-4-fluoro-7-methylocta-1,5-dien-2-amine.
What is the SMILES notation for (5Z)-4-fluoro-7-methylocta-1,5-dien-2-amine?
The canonical SMILES for (5Z)-4-fluoro-7-methylocta-1,5-dien-2-amine is C=C(N)CC(F)/C=C\C(C)C.
What is the InChIKey of (5Z)-4-fluoro-7-methylocta-1,5-dien-2-amine?
The InChIKey is RCRVEVVZCKRDMV-PLNGDYQASA-N. The full InChI is InChI=1S/C9H16FN/c1-7(2)4-5-9(10)6-8(3)11/h4-5,7,9H,3,6,11H2,1-2H3/b5-4-.
What are the key properties of (5Z)-4-fluoro-7-methylocta-1,5-dien-2-amine?
(5Z)-4-fluoro-7-methylocta-1,5-dien-2-amine has a molecular weight of 157.23 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-fluoro-7-methylocta-1,5-dien-2-amine is sourced from PubChem (CID 88905582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).