(1Z,5E,7Z)-5-fluoro-2-methylcycloocta-1,5,7-trien-1-amine

C9H12FN — CID 155446083

IUPAC(1Z,5E,7Z)-5-fluoro-2-methylcycloocta-1,5,7-trien-1-amine
SMILESC/C1=C(N)/C=C\C=C(\F)CC1
InChIInChI=1S/C9H12FN/c1-7-5-6-8(10)3-2-4-9(7)11/h2-4H,5-6,11H2,1H3/b4-2-,8-3+,9-7+
InChIKeyKJKZIBCMTKNWPE-ZDLJXOEOSA-N
MW153.20 g/mol
LogP2.42
Rot. Bonds

About (1Z,5E,7Z)-5-fluoro-2-methylcycloocta-1,5,7-trien-1-amine

(1Z,5E,7Z)-5-fluoro-2-methylcycloocta-1,5,7-trien-1-amine (PubChem CID 155446083) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is (1Z,5E,7Z)-5-fluoro-2-methylcycloocta-1,5,7-trien-1-amine.

Molecular Properties

Compound Name(1Z,5E,7Z)-5-fluoro-2-methylcycloocta-1,5,7-trien-1-amine
PubChem CID155446083
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name(1Z,5E,7Z)-5-fluoro-2-methylcycloocta-1,5,7-trien-1-amine
SMILESC/C1=C(N)/C=C\C=C(\F)CC1
InChIInChI=1S/C9H12FN/c1-7-5-6-8(10)3-2-4-9(7)11/h2-4H,5-6,11H2,1H3/b4-2-,8-3+,9-7+
InChIKeyKJKZIBCMTKNWPE-ZDLJXOEOSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1Z,5E,7Z)-5-fluoro-2-methylcycloocta-1,5,7-trien-1-amine?
The IUPAC name of (1Z,5E,7Z)-5-fluoro-2-methylcycloocta-1,5,7-trien-1-amine (CID 155446083) is (1Z,5E,7Z)-5-fluoro-2-methylcycloocta-1,5,7-trien-1-amine.
What is the SMILES notation for (1Z,5E,7Z)-5-fluoro-2-methylcycloocta-1,5,7-trien-1-amine?
The canonical SMILES for (1Z,5E,7Z)-5-fluoro-2-methylcycloocta-1,5,7-trien-1-amine is C/C1=C(N)/C=C\C=C(\F)CC1.
What is the InChIKey of (1Z,5E,7Z)-5-fluoro-2-methylcycloocta-1,5,7-trien-1-amine?
The InChIKey is KJKZIBCMTKNWPE-ZDLJXOEOSA-N. The full InChI is InChI=1S/C9H12FN/c1-7-5-6-8(10)3-2-4-9(7)11/h2-4H,5-6,11H2,1H3/b4-2-,8-3+,9-7+.
What are the key properties of (1Z,5E,7Z)-5-fluoro-2-methylcycloocta-1,5,7-trien-1-amine?
(1Z,5E,7Z)-5-fluoro-2-methylcycloocta-1,5,7-trien-1-amine has a molecular weight of 153.20 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5E,7Z)-5-fluoro-2-methylcycloocta-1,5,7-trien-1-amine is sourced from PubChem (CID 155446083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).