(1E,3E,5Z,7E)-8-fluoro-4-methylcycloocta-1,3,5,7-tetraen-1-amine

C9H10FN — CID 145436775

IUPAC(1E,3E,5Z,7E)-8-fluoro-4-methylcycloocta-1,3,5,7-tetraen-1-amine
SMILESCC1=C/C=C(N)\C(F)=C/C=C\1
InChIInChI=1S/C9H10FN/c1-7-3-2-4-8(10)9(11)6-5-7/h2-6H,11H2,1H3/b3-2-,4-2-,6-5-,7-3-,7-5-,8-4+,9-6+,9-8-
InChIKeyCPCVHDJAHTZIFM-HZJOTAGCSA-N
MW151.18 g/mol
LogP2.20
Rot. Bonds

About (1E,3E,5Z,7E)-8-fluoro-4-methylcycloocta-1,3,5,7-tetraen-1-amine

(1E,3E,5Z,7E)-8-fluoro-4-methylcycloocta-1,3,5,7-tetraen-1-amine (PubChem CID 145436775) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is (1E,3E,5Z,7E)-8-fluoro-4-methylcycloocta-1,3,5,7-tetraen-1-amine.

Molecular Properties

Compound Name(1E,3E,5Z,7E)-8-fluoro-4-methylcycloocta-1,3,5,7-tetraen-1-amine
PubChem CID145436775
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name(1E,3E,5Z,7E)-8-fluoro-4-methylcycloocta-1,3,5,7-tetraen-1-amine
SMILESCC1=C/C=C(N)\C(F)=C/C=C\1
InChIInChI=1S/C9H10FN/c1-7-3-2-4-8(10)9(11)6-5-7/h2-6H,11H2,1H3/b3-2-,4-2-,6-5-,7-3-,7-5-,8-4+,9-6+,9-8-
InChIKeyCPCVHDJAHTZIFM-HZJOTAGCSA-N
XLogP2.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1E,3E,5Z,7E)-8-fluoro-4-methylcycloocta-1,3,5,7-tetraen-1-amine with MolForge

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Launch Full Analysis

Related Compounds

5-Fluoro-6-methylcyclohexa-1,5-dien-1-amine
CID 68217515
2-Fluoro-5-methylcyclohepta-1,3,6-trien-1-amine
CID 68229473
(2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine
CID 88558934
(3E,5Z)-2-fluoro-5-methylhepta-1,3,5-trien-4-amine
CID 88575399
(3E,5E)-5-fluoroocta-3,5,7-trien-3-amine
CID 88905364
(2Z,4Z)-5-ethenyl-1,1,1-trifluoroocta-2,4-dien-2-amine
CID 88963377
(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073720
(2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine
CID 89140162
(2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine
CID 89153760
(3E)-2-(trifluoromethyl)hexa-1,3,5-trien-3-amine
CID 89153824
(3Z,5Z)-1-fluoro-2,2,5-trimethylocta-3,5,7-trien-3-amine
CID 89170034
(3Z,5Z)-1,1,1-trifluoro-2,2,5-trimethylocta-3,5,7-trien-3-amine
CID 89170111

Frequently Asked Questions

What is the IUPAC name of (1E,3E,5Z,7E)-8-fluoro-4-methylcycloocta-1,3,5,7-tetraen-1-amine?
The IUPAC name of (1E,3E,5Z,7E)-8-fluoro-4-methylcycloocta-1,3,5,7-tetraen-1-amine (CID 145436775) is (1E,3E,5Z,7E)-8-fluoro-4-methylcycloocta-1,3,5,7-tetraen-1-amine.
What is the SMILES notation for (1E,3E,5Z,7E)-8-fluoro-4-methylcycloocta-1,3,5,7-tetraen-1-amine?
The canonical SMILES for (1E,3E,5Z,7E)-8-fluoro-4-methylcycloocta-1,3,5,7-tetraen-1-amine is CC1=C/C=C(N)\C(F)=C/C=C\1.
What is the InChIKey of (1E,3E,5Z,7E)-8-fluoro-4-methylcycloocta-1,3,5,7-tetraen-1-amine?
The InChIKey is CPCVHDJAHTZIFM-HZJOTAGCSA-N. The full InChI is InChI=1S/C9H10FN/c1-7-3-2-4-8(10)9(11)6-5-7/h2-6H,11H2,1H3/b3-2-,4-2-,6-5-,7-3-,7-5-,8-4+,9-6+,9-8-.
What are the key properties of (1E,3E,5Z,7E)-8-fluoro-4-methylcycloocta-1,3,5,7-tetraen-1-amine?
(1E,3E,5Z,7E)-8-fluoro-4-methylcycloocta-1,3,5,7-tetraen-1-amine has a molecular weight of 151.18 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5Z,7E)-8-fluoro-4-methylcycloocta-1,3,5,7-tetraen-1-amine is sourced from PubChem (CID 145436775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).