(3Z)-N-ethyl-4-fluorohexa-3,5-dien-3-amine

C8H14FN — CID 139340855

IUPAC(3Z)-N-ethyl-4-fluorohexa-3,5-dien-3-amine
SMILESC=C/C(F)=C(\CC)NCC
InChIInChI=1S/C8H14FN/c1-4-7(9)8(5-2)10-6-3/h4,10H,1,5-6H2,2-3H3/b8-7-
InChIKeyCEQVWYPJSZOTLC-FPLPWBNLSA-N
MW143.20 g/mol
LogP2.37
Rot. Bonds4

About (3Z)-N-ethyl-4-fluorohexa-3,5-dien-3-amine

(3Z)-N-ethyl-4-fluorohexa-3,5-dien-3-amine (PubChem CID 139340855) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is (3Z)-N-ethyl-4-fluorohexa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3Z)-N-ethyl-4-fluorohexa-3,5-dien-3-amine
PubChem CID139340855
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name(3Z)-N-ethyl-4-fluorohexa-3,5-dien-3-amine
SMILESC=C/C(F)=C(\CC)NCC
InChIInChI=1S/C8H14FN/c1-4-7(9)8(5-2)10-6-3/h4,10H,1,5-6H2,2-3H3/b8-7-
InChIKeyCEQVWYPJSZOTLC-FPLPWBNLSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 52.37
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

N-ethyl-3-fluorocyclohexa-1,3-dien-1-amine
CID 70333081
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
N-ethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 89313772
(2E,4Z,6E)-6-N-(2,2-difluoropropyl)-3-N-methylnona-2,4,6-triene-3,6-diamine
CID 130329197
(3Z)-3-ethyl-N-(2,2,2-trifluoroethyl)hepta-1,3-dien-4-amine
CID 130413491
(2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine
CID 134291684
(3Z,5Z)-4,7-difluoro-N-methylocta-3,5-dien-3-amine
CID 134365775
(3Z)-4-fluoro-N-methylhexa-3,5-dien-3-amine
CID 139340911
(3E,4Z)-N-butyl-3-ethylidene-6-fluorohepta-1,4,6-trien-2-amine
CID 142066618
(3Z)-5-fluoro-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
CID 142956605
N-ethyl-4-fluorocyclohepta-1,3,5-trien-1-amine
CID 143106717
N-ethyl-4-fluorocyclohepta-1,3,6-trien-1-amine
CID 143106834

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethyl-4-fluorohexa-3,5-dien-3-amine?
The IUPAC name of (3Z)-N-ethyl-4-fluorohexa-3,5-dien-3-amine (CID 139340855) is (3Z)-N-ethyl-4-fluorohexa-3,5-dien-3-amine.
What is the SMILES notation for (3Z)-N-ethyl-4-fluorohexa-3,5-dien-3-amine?
The canonical SMILES for (3Z)-N-ethyl-4-fluorohexa-3,5-dien-3-amine is C=C/C(F)=C(\CC)NCC.
What is the InChIKey of (3Z)-N-ethyl-4-fluorohexa-3,5-dien-3-amine?
The InChIKey is CEQVWYPJSZOTLC-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H14FN/c1-4-7(9)8(5-2)10-6-3/h4,10H,1,5-6H2,2-3H3/b8-7-.
What are the key properties of (3Z)-N-ethyl-4-fluorohexa-3,5-dien-3-amine?
(3Z)-N-ethyl-4-fluorohexa-3,5-dien-3-amine has a molecular weight of 143.20 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethyl-4-fluorohexa-3,5-dien-3-amine is sourced from PubChem (CID 139340855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).