(3Z)-3-ethylidene-5-fluoro-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine

C10H12FNO — CID 177202516

IUPAC(3Z)-3-ethylidene-5-fluoro-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine
SMILESC=c1c(F)c(OC)c(N)c/c1=C/C
InChIInChI=1S/C10H12FNO/c1-4-7-5-8(12)10(13-3)9(11)6(7)2/h4-5H,2,12H2,1,3H3/b7-4-
InChIKeyOHLSHUZBWZCXHM-DAXSKMNVSA-N
MW181.21 g/mol
LogP0.63
Rot. Bonds1

About (3Z)-3-ethylidene-5-fluoro-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine

(3Z)-3-ethylidene-5-fluoro-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine (PubChem CID 177202516) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (3Z)-3-ethylidene-5-fluoro-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-5-fluoro-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine
PubChem CID177202516
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(3Z)-3-ethylidene-5-fluoro-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine
SMILESC=c1c(F)c(OC)c(N)c/c1=C/C
InChIInChI=1S/C10H12FNO/c1-4-7-5-8(12)10(13-3)9(11)6(7)2/h4-5H,2,12H2,1,3H3/b7-4-
InChIKeyOHLSHUZBWZCXHM-DAXSKMNVSA-N
XLogP0.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine?
The IUPAC name of (3Z)-3-ethylidene-5-fluoro-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine (CID 177202516) is (3Z)-3-ethylidene-5-fluoro-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine.
What is the SMILES notation for (3Z)-3-ethylidene-5-fluoro-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine?
The canonical SMILES for (3Z)-3-ethylidene-5-fluoro-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine is C=c1c(F)c(OC)c(N)c/c1=C/C.
What is the InChIKey of (3Z)-3-ethylidene-5-fluoro-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine?
The InChIKey is OHLSHUZBWZCXHM-DAXSKMNVSA-N. The full InChI is InChI=1S/C10H12FNO/c1-4-7-5-8(12)10(13-3)9(11)6(7)2/h4-5H,2,12H2,1,3H3/b7-4-.
What are the key properties of (3Z)-3-ethylidene-5-fluoro-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine?
(3Z)-3-ethylidene-5-fluoro-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine has a molecular weight of 181.21 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-5-fluoro-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 177202516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).