(Z,3E)-N-[(E)-but-2-en-2-yl]-3-ethylidene-6-fluorohex-4-en-2-amine

C12H20FN — CID 143056585

IUPAC(Z,3E)-N-[(E)-but-2-en-2-yl]-3-ethylidene-6-fluorohex-4-en-2-amine
SMILESC/C=C(\C)NC(C)C(/C=C\CF)=C/C
InChIInChI=1S/C12H20FN/c1-5-10(3)14-11(4)12(6-2)8-7-9-13/h5-8,11,14H,9H2,1-4H3/b8-7-,10-5+,12-6+
InChIKeyCURQBFNOUQPQHA-AFPQCSSQSA-N
MW197.30 g/mol
LogP3.36
Rot. Bonds5

About (Z,3E)-N-[(E)-but-2-en-2-yl]-3-ethylidene-6-fluorohex-4-en-2-amine

(Z,3E)-N-[(E)-but-2-en-2-yl]-3-ethylidene-6-fluorohex-4-en-2-amine (PubChem CID 143056585) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is (Z,3E)-N-[(E)-but-2-en-2-yl]-3-ethylidene-6-fluorohex-4-en-2-amine.

Molecular Properties

Compound Name(Z,3E)-N-[(E)-but-2-en-2-yl]-3-ethylidene-6-fluorohex-4-en-2-amine
PubChem CID143056585
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name(Z,3E)-N-[(E)-but-2-en-2-yl]-3-ethylidene-6-fluorohex-4-en-2-amine
SMILESC/C=C(\C)NC(C)C(/C=C\CF)=C/C
InChIInChI=1S/C12H20FN/c1-5-10(3)14-11(4)12(6-2)8-7-9-13/h5-8,11,14H,9H2,1-4H3/b8-7-,10-5+,12-6+
InChIKeyCURQBFNOUQPQHA-AFPQCSSQSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.36
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

Dihydrocollidin
CID 430194
2-[(Z)-1-fluorobut-1-enyl]-3a,7a-dihydro-1H-indole
CID 68403127
2-(Fluoromethyl)-6-methyl-1,2-dihydropyridine
CID 70459541
(3E,6Z)-3-ethylidene-4-methylidene-5-propan-2-ylidene-N-(2,2,2-trifluoroethyl)nona-1,6,8-trien-2-amine
CID 88278299
(3Z,5Z)-6-methyl-2-N-[(4Z)-3-methylidene-6-(trifluoromethyl)hepta-1,4,6-trien-2-yl]octa-3,5,7-triene-2,3-diamine
CID 88998201
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
2-ethenyl-3-[(Z)-prop-1-enyl]-6-(trifluoromethyl)-1,2-dihydropyridine-4-thiol
CID 89153871
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
N-ethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 89313772
5-fluoro-2-methyl-2,4-dihydro-1H-indole
CID 89846202
(E,2R)-4-fluoro-N-methyl-3-methylidenehex-4-en-2-amine
CID 117854387

Frequently Asked Questions

What is the IUPAC name of (Z,3E)-N-[(E)-but-2-en-2-yl]-3-ethylidene-6-fluorohex-4-en-2-amine?
The IUPAC name of (Z,3E)-N-[(E)-but-2-en-2-yl]-3-ethylidene-6-fluorohex-4-en-2-amine (CID 143056585) is (Z,3E)-N-[(E)-but-2-en-2-yl]-3-ethylidene-6-fluorohex-4-en-2-amine.
What is the SMILES notation for (Z,3E)-N-[(E)-but-2-en-2-yl]-3-ethylidene-6-fluorohex-4-en-2-amine?
The canonical SMILES for (Z,3E)-N-[(E)-but-2-en-2-yl]-3-ethylidene-6-fluorohex-4-en-2-amine is C/C=C(\C)NC(C)C(/C=C\CF)=C/C.
What is the InChIKey of (Z,3E)-N-[(E)-but-2-en-2-yl]-3-ethylidene-6-fluorohex-4-en-2-amine?
The InChIKey is CURQBFNOUQPQHA-AFPQCSSQSA-N. The full InChI is InChI=1S/C12H20FN/c1-5-10(3)14-11(4)12(6-2)8-7-9-13/h5-8,11,14H,9H2,1-4H3/b8-7-,10-5+,12-6+.
What are the key properties of (Z,3E)-N-[(E)-but-2-en-2-yl]-3-ethylidene-6-fluorohex-4-en-2-amine?
(Z,3E)-N-[(E)-but-2-en-2-yl]-3-ethylidene-6-fluorohex-4-en-2-amine has a molecular weight of 197.30 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-N-[(E)-but-2-en-2-yl]-3-ethylidene-6-fluorohex-4-en-2-amine is sourced from PubChem (CID 143056585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).