(2E,3Z)-2-ethylidene-N-(2-fluoroethyl)-N,5-dimethylhexa-3,5-dien-1-amine

C12H20FN — CID 155197917

IUPAC(2E,3Z)-2-ethylidene-N-(2-fluoroethyl)-N,5-dimethylhexa-3,5-dien-1-amine
SMILESC=C(C)/C=C\C(=C/C)CN(C)CCF
InChIInChI=1S/C12H20FN/c1-5-12(7-6-11(2)3)10-14(4)9-8-13/h5-7H,2,8-10H2,1,3-4H3/b7-6-,12-5+
InChIKeyAHAGWFQDSWOPSD-BZNMCICSSA-N
MW197.30 g/mol
LogP2.97
Rot. Bonds6

About (2E,3Z)-2-ethylidene-N-(2-fluoroethyl)-N,5-dimethylhexa-3,5-dien-1-amine

(2E,3Z)-2-ethylidene-N-(2-fluoroethyl)-N,5-dimethylhexa-3,5-dien-1-amine (PubChem CID 155197917) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-N-(2-fluoroethyl)-N,5-dimethylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-N-(2-fluoroethyl)-N,5-dimethylhexa-3,5-dien-1-amine
PubChem CID155197917
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name(2E,3Z)-2-ethylidene-N-(2-fluoroethyl)-N,5-dimethylhexa-3,5-dien-1-amine
SMILESC=C(C)/C=C\C(=C/C)CN(C)CCF
InChIInChI=1S/C12H20FN/c1-5-12(7-6-11(2)3)10-14(4)9-8-13/h5-7H,2,8-10H2,1,3-4H3/b7-6-,12-5+
InChIKeyAHAGWFQDSWOPSD-BZNMCICSSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidene-N-(2-fluoroethyl)-N,5-dimethylhexa-3,5-dien-1-amine?
The IUPAC name of (2E,3Z)-2-ethylidene-N-(2-fluoroethyl)-N,5-dimethylhexa-3,5-dien-1-amine (CID 155197917) is (2E,3Z)-2-ethylidene-N-(2-fluoroethyl)-N,5-dimethylhexa-3,5-dien-1-amine.
What is the SMILES notation for (2E,3Z)-2-ethylidene-N-(2-fluoroethyl)-N,5-dimethylhexa-3,5-dien-1-amine?
The canonical SMILES for (2E,3Z)-2-ethylidene-N-(2-fluoroethyl)-N,5-dimethylhexa-3,5-dien-1-amine is C=C(C)/C=C\C(=C/C)CN(C)CCF.
What is the InChIKey of (2E,3Z)-2-ethylidene-N-(2-fluoroethyl)-N,5-dimethylhexa-3,5-dien-1-amine?
The InChIKey is AHAGWFQDSWOPSD-BZNMCICSSA-N. The full InChI is InChI=1S/C12H20FN/c1-5-12(7-6-11(2)3)10-14(4)9-8-13/h5-7H,2,8-10H2,1,3-4H3/b7-6-,12-5+.
What are the key properties of (2E,3Z)-2-ethylidene-N-(2-fluoroethyl)-N,5-dimethylhexa-3,5-dien-1-amine?
(2E,3Z)-2-ethylidene-N-(2-fluoroethyl)-N,5-dimethylhexa-3,5-dien-1-amine has a molecular weight of 197.30 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-N-(2-fluoroethyl)-N,5-dimethylhexa-3,5-dien-1-amine is sourced from PubChem (CID 155197917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).