(3Z)-3-ethylidene-5-fluoro-4-methylidenecyclohexa-1,5-dien-1-amine

C9H10FN — CID 177202388

IUPAC(3Z)-3-ethylidene-5-fluoro-4-methylidenecyclohexa-1,5-dien-1-amine
SMILESC=c1c(F)cc(N)c/c1=C/C
InChIInChI=1S/C9H10FN/c1-3-7-4-8(11)5-9(10)6(7)2/h3-5H,2,11H2,1H3/b7-3-
InChIKeyQJJIBTFQMHQQOL-CLTKARDFSA-N
MW151.18 g/mol
LogP0.62
Rot. Bonds

About (3Z)-3-ethylidene-5-fluoro-4-methylidenecyclohexa-1,5-dien-1-amine

(3Z)-3-ethylidene-5-fluoro-4-methylidenecyclohexa-1,5-dien-1-amine (PubChem CID 177202388) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is (3Z)-3-ethylidene-5-fluoro-4-methylidenecyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-5-fluoro-4-methylidenecyclohexa-1,5-dien-1-amine
PubChem CID177202388
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name(3Z)-3-ethylidene-5-fluoro-4-methylidenecyclohexa-1,5-dien-1-amine
SMILESC=c1c(F)cc(N)c/c1=C/C
InChIInChI=1S/C9H10FN/c1-3-7-4-8(11)5-9(10)6(7)2/h3-5H,2,11H2,1H3/b7-3-
InChIKeyQJJIBTFQMHQQOL-CLTKARDFSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-5-fluoro-4-methylidenecyclohexa-1,5-dien-1-amine?
The IUPAC name of (3Z)-3-ethylidene-5-fluoro-4-methylidenecyclohexa-1,5-dien-1-amine (CID 177202388) is (3Z)-3-ethylidene-5-fluoro-4-methylidenecyclohexa-1,5-dien-1-amine.
What is the SMILES notation for (3Z)-3-ethylidene-5-fluoro-4-methylidenecyclohexa-1,5-dien-1-amine?
The canonical SMILES for (3Z)-3-ethylidene-5-fluoro-4-methylidenecyclohexa-1,5-dien-1-amine is C=c1c(F)cc(N)c/c1=C/C.
What is the InChIKey of (3Z)-3-ethylidene-5-fluoro-4-methylidenecyclohexa-1,5-dien-1-amine?
The InChIKey is QJJIBTFQMHQQOL-CLTKARDFSA-N. The full InChI is InChI=1S/C9H10FN/c1-3-7-4-8(11)5-9(10)6(7)2/h3-5H,2,11H2,1H3/b7-3-.
What are the key properties of (3Z)-3-ethylidene-5-fluoro-4-methylidenecyclohexa-1,5-dien-1-amine?
(3Z)-3-ethylidene-5-fluoro-4-methylidenecyclohexa-1,5-dien-1-amine has a molecular weight of 151.18 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-5-fluoro-4-methylidenecyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 177202388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).