(Z,2Z)-2-(1-fluoroethylidene)hex-3-en-1-amine

C8H14FN — CID 144703102

IUPAC(Z,2Z)-2-(1-fluoroethylidene)hex-3-en-1-amine
SMILESCC/C=C\C(CN)=C(/C)F
InChIInChI=1S/C8H14FN/c1-3-4-5-8(6-10)7(2)9/h4-5H,3,6,10H2,1-2H3/b5-4-,8-7-
InChIKeySQBXNUQICADFPJ-UTOQUPLUSA-N
MW143.20 g/mol
LogP2.15
Rot. Bonds3

About (Z,2Z)-2-(1-fluoroethylidene)hex-3-en-1-amine

(Z,2Z)-2-(1-fluoroethylidene)hex-3-en-1-amine (PubChem CID 144703102) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is (Z,2Z)-2-(1-fluoroethylidene)hex-3-en-1-amine.

Molecular Properties

Compound Name(Z,2Z)-2-(1-fluoroethylidene)hex-3-en-1-amine
PubChem CID144703102
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name(Z,2Z)-2-(1-fluoroethylidene)hex-3-en-1-amine
SMILESCC/C=C\C(CN)=C(/C)F
InChIInChI=1S/C8H14FN/c1-3-4-5-8(6-10)7(2)9/h4-5H,3,6,10H2,1-2H3/b5-4-,8-7-
InChIKeySQBXNUQICADFPJ-UTOQUPLUSA-N
XLogP2.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 52.15
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
4-Fluoro-4-fluorobenzylamine
CID 70144286
(3,4-Difluorocyclohexa-1,5-dien-1-yl)methanamine
CID 70311731
1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203
(1E,3Z)-4-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 88063248
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(2E)-2-[(E)-2-chloro-3-fluoroprop-1-enyl]penta-2,4-dien-1-amine
CID 88266399
(2E,4E)-5-fluoro-4-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 88267041
(E)-4-fluoro-2-methylidenehex-3-en-1-amine
CID 88557724
(1Z,3Z)-5-fluoro-2-methylhexa-1,3,5-trien-1-amine
CID 88579423
(2E,4Z)-6-fluoro-2-methylhepta-2,4,6-trien-1-amine
CID 88590092
(E)-[(6Z)-2-fluoro-5-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methanamine
CID 88961311

Frequently Asked Questions

What is the IUPAC name of (Z,2Z)-2-(1-fluoroethylidene)hex-3-en-1-amine?
The IUPAC name of (Z,2Z)-2-(1-fluoroethylidene)hex-3-en-1-amine (CID 144703102) is (Z,2Z)-2-(1-fluoroethylidene)hex-3-en-1-amine.
What is the SMILES notation for (Z,2Z)-2-(1-fluoroethylidene)hex-3-en-1-amine?
The canonical SMILES for (Z,2Z)-2-(1-fluoroethylidene)hex-3-en-1-amine is CC/C=C\C(CN)=C(/C)F.
What is the InChIKey of (Z,2Z)-2-(1-fluoroethylidene)hex-3-en-1-amine?
The InChIKey is SQBXNUQICADFPJ-UTOQUPLUSA-N. The full InChI is InChI=1S/C8H14FN/c1-3-4-5-8(6-10)7(2)9/h4-5H,3,6,10H2,1-2H3/b5-4-,8-7-.
What are the key properties of (Z,2Z)-2-(1-fluoroethylidene)hex-3-en-1-amine?
(Z,2Z)-2-(1-fluoroethylidene)hex-3-en-1-amine has a molecular weight of 143.20 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-2-(1-fluoroethylidene)hex-3-en-1-amine is sourced from PubChem (CID 144703102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).