(3Z,4Z)-3-(2-fluoroethylidene)hepta-4,6-dien-1-amine

C9H14FN — CID 89296028

IUPAC(3Z,4Z)-3-(2-fluoroethylidene)hepta-4,6-dien-1-amine
SMILESC=C/C=C\C(=C/CF)CCN
InChIInChI=1S/C9H14FN/c1-2-3-4-9(5-7-10)6-8-11/h2-5H,1,6-8,11H2/b4-3-,9-5+
InChIKeyDFNUWJLYVMCMHZ-XBURUKCPSA-N
MW155.22 g/mol
LogP1.97
Rot. Bonds5

About (3Z,4Z)-3-(2-fluoroethylidene)hepta-4,6-dien-1-amine

(3Z,4Z)-3-(2-fluoroethylidene)hepta-4,6-dien-1-amine (PubChem CID 89296028) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (3Z,4Z)-3-(2-fluoroethylidene)hepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(3Z,4Z)-3-(2-fluoroethylidene)hepta-4,6-dien-1-amine
PubChem CID89296028
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(3Z,4Z)-3-(2-fluoroethylidene)hepta-4,6-dien-1-amine
SMILESC=C/C=C\C(=C/CF)CCN
InChIInChI=1S/C9H14FN/c1-2-3-4-9(5-7-10)6-8-11/h2-5H,1,6-8,11H2/b4-3-,9-5+
InChIKeyDFNUWJLYVMCMHZ-XBURUKCPSA-N
XLogP1.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Ethenylhexa-3,5-dien-1-amine
CID 130019176
(e)-4,6-Heptadienylamine
CID 13658911
3-Cyclopenta-1,3-dien-1-ylpropan-1-amine
CID 14591841
[3h]-Phenylethylamine
CID 21074081
3,4-Dihydrophenylethyl-amine
CID 21074092
(4E,6E)-octa-4,6-dien-1-amine
CID 55290579
Hepta-4,6-dien-1-amine
CID 58219663
[1-Fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine
CID 67402819
(4-Fluorocyclohexa-2,4-dien-1-yl)methanamine
CID 68240582
2-(4-Fluorocyclohexa-1,3-dien-1-yl)ethanamine
CID 68342135
(1,4-Difluorocyclohexa-2,4-dien-1-yl)methanamine
CID 69051450
(3,4-Difluorocyclohexa-1,5-dien-1-yl)methanamine
CID 70311731

Frequently Asked Questions

What is the IUPAC name of (3Z,4Z)-3-(2-fluoroethylidene)hepta-4,6-dien-1-amine?
The IUPAC name of (3Z,4Z)-3-(2-fluoroethylidene)hepta-4,6-dien-1-amine (CID 89296028) is (3Z,4Z)-3-(2-fluoroethylidene)hepta-4,6-dien-1-amine.
What is the SMILES notation for (3Z,4Z)-3-(2-fluoroethylidene)hepta-4,6-dien-1-amine?
The canonical SMILES for (3Z,4Z)-3-(2-fluoroethylidene)hepta-4,6-dien-1-amine is C=C/C=C\C(=C/CF)CCN.
What is the InChIKey of (3Z,4Z)-3-(2-fluoroethylidene)hepta-4,6-dien-1-amine?
The InChIKey is DFNUWJLYVMCMHZ-XBURUKCPSA-N. The full InChI is InChI=1S/C9H14FN/c1-2-3-4-9(5-7-10)6-8-11/h2-5H,1,6-8,11H2/b4-3-,9-5+.
What are the key properties of (3Z,4Z)-3-(2-fluoroethylidene)hepta-4,6-dien-1-amine?
(3Z,4Z)-3-(2-fluoroethylidene)hepta-4,6-dien-1-amine has a molecular weight of 155.22 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-3-(2-fluoroethylidene)hepta-4,6-dien-1-amine is sourced from PubChem (CID 89296028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).