(Z,3S,6S,7S)-7-fluoro-6-methyloct-4-en-3-amine

C9H18FN — CID 147180336

IUPAC(Z,3S,6S,7S)-7-fluoro-6-methyloct-4-en-3-amine
SMILESCC[C@H](N)/C=C\[C@H](C)[C@H](C)F
InChIInChI=1S/C9H18FN/c1-4-9(11)6-5-7(2)8(3)10/h5-9H,4,11H2,1-3H3/b6-5-/t7-,8-,9-/m0/s1
InChIKeyBZLZHBHZRYLOQN-XISAPEMPSA-N
MW159.25 g/mol
LogP2.27
Rot. Bonds4

About (Z,3S,6S,7S)-7-fluoro-6-methyloct-4-en-3-amine

(Z,3S,6S,7S)-7-fluoro-6-methyloct-4-en-3-amine (PubChem CID 147180336) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (Z,3S,6S,7S)-7-fluoro-6-methyloct-4-en-3-amine.

Molecular Properties

Compound Name(Z,3S,6S,7S)-7-fluoro-6-methyloct-4-en-3-amine
PubChem CID147180336
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(Z,3S,6S,7S)-7-fluoro-6-methyloct-4-en-3-amine
SMILESCC[C@H](N)/C=C\[C@H](C)[C@H](C)F
InChIInChI=1S/C9H18FN/c1-4-9(11)6-5-7(2)8(3)10/h5-9H,4,11H2,1-3H3/b6-5-/t7-,8-,9-/m0/s1
InChIKeyBZLZHBHZRYLOQN-XISAPEMPSA-N
XLogP2.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z,3S,6S,7S)-7-fluoro-6-methyloct-4-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z,3S,6S,7S)-7-fluoro-6-methyloct-4-en-3-amine?
The IUPAC name of (Z,3S,6S,7S)-7-fluoro-6-methyloct-4-en-3-amine (CID 147180336) is (Z,3S,6S,7S)-7-fluoro-6-methyloct-4-en-3-amine.
What is the SMILES notation for (Z,3S,6S,7S)-7-fluoro-6-methyloct-4-en-3-amine?
The canonical SMILES for (Z,3S,6S,7S)-7-fluoro-6-methyloct-4-en-3-amine is CC[C@H](N)/C=C\[C@H](C)[C@H](C)F.
What is the InChIKey of (Z,3S,6S,7S)-7-fluoro-6-methyloct-4-en-3-amine?
The InChIKey is BZLZHBHZRYLOQN-XISAPEMPSA-N. The full InChI is InChI=1S/C9H18FN/c1-4-9(11)6-5-7(2)8(3)10/h5-9H,4,11H2,1-3H3/b6-5-/t7-,8-,9-/m0/s1.
What are the key properties of (Z,3S,6S,7S)-7-fluoro-6-methyloct-4-en-3-amine?
(Z,3S,6S,7S)-7-fluoro-6-methyloct-4-en-3-amine has a molecular weight of 159.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S,6S,7S)-7-fluoro-6-methyloct-4-en-3-amine is sourced from PubChem (CID 147180336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).