(Z,4E)-4-ethylidene-1-fluoro-3-methoxynon-5-en-2-amine

C12H22FNO — CID 129313612

IUPAC(Z,4E)-4-ethylidene-1-fluoro-3-methoxynon-5-en-2-amine
SMILESC/C=C(\C=C/CCC)C(OC)C(N)CF
InChIInChI=1S/C12H22FNO/c1-4-6-7-8-10(5-2)12(15-3)11(14)9-13/h5,7-8,11-12H,4,6,9,14H2,1-3H3/b8-7-,10-5+
InChIKeyGYGZPRQNBMNITE-GBLFQTLVSA-N
MW215.31 g/mol
LogP2.60
Rot. Bonds7

About (Z,4E)-4-ethylidene-1-fluoro-3-methoxynon-5-en-2-amine

(Z,4E)-4-ethylidene-1-fluoro-3-methoxynon-5-en-2-amine (PubChem CID 129313612) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is (Z,4E)-4-ethylidene-1-fluoro-3-methoxynon-5-en-2-amine.

Molecular Properties

Compound Name(Z,4E)-4-ethylidene-1-fluoro-3-methoxynon-5-en-2-amine
PubChem CID129313612
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name(Z,4E)-4-ethylidene-1-fluoro-3-methoxynon-5-en-2-amine
SMILESC/C=C(\C=C/CCC)C(OC)C(N)CF
InChIInChI=1S/C12H22FNO/c1-4-6-7-8-10(5-2)12(15-3)11(14)9-13/h5,7-8,11-12H,4,6,9,14H2,1-3H3/b8-7-,10-5+
InChIKeyGYGZPRQNBMNITE-GBLFQTLVSA-N
XLogP2.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2,2-Difluoroethoxy)-2-methylcyclohexa-1,5-dien-1-yl]ethanamine
CID 87688738
1-[(4R)-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanamine
CID 124095634
(E)-1-fluoro-3-methoxy-4-methylhept-4-en-2-amine
CID 129313080
3-Fluoro-1-[5-(2-fluoroethylsulfanyl)cyclohepta-1,3,4,6-tetraen-1-yl]-1-methoxypropan-2-amine
CID 129313102
(E)-1-fluoro-3-methoxy-4-[(Z)-3-nitroprop-1-enyl]hept-4-en-2-amine
CID 129313193
(E,3R)-1-fluoro-4-[(Z)-3-(3-fluoropropylsulfanyl)prop-1-enyl]-3-methoxyhept-4-en-2-amine
CID 129313244
(1R)-3-fluoro-1-[5-(fluoromethylsulfanyl)cyclohepta-1,6-dien-1-yl]-1-methoxypropan-2-amine
CID 129313444
4-(2-amino-3-fluoro-1-methoxypropyl)-N-(2-fluorobutyl)cyclohepta-2,4,6-trien-1-amine
CID 129313584
(4E)-1-fluoro-3-methoxy-4-[(Z)-3-(oxan-4-yl)prop-1-enyl]hepta-4,6-dien-2-amine
CID 129313626
(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine
CID 129313631
(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine
CID 129313637
(4E,5Z)-4-ethylidene-1-fluoro-7-(2-fluoroethylsulfanyl)-3-methoxyocta-5,7-dien-2-amine
CID 129313857

Frequently Asked Questions

What is the IUPAC name of (Z,4E)-4-ethylidene-1-fluoro-3-methoxynon-5-en-2-amine?
The IUPAC name of (Z,4E)-4-ethylidene-1-fluoro-3-methoxynon-5-en-2-amine (CID 129313612) is (Z,4E)-4-ethylidene-1-fluoro-3-methoxynon-5-en-2-amine.
What is the SMILES notation for (Z,4E)-4-ethylidene-1-fluoro-3-methoxynon-5-en-2-amine?
The canonical SMILES for (Z,4E)-4-ethylidene-1-fluoro-3-methoxynon-5-en-2-amine is C/C=C(\C=C/CCC)C(OC)C(N)CF.
What is the InChIKey of (Z,4E)-4-ethylidene-1-fluoro-3-methoxynon-5-en-2-amine?
The InChIKey is GYGZPRQNBMNITE-GBLFQTLVSA-N. The full InChI is InChI=1S/C12H22FNO/c1-4-6-7-8-10(5-2)12(15-3)11(14)9-13/h5,7-8,11-12H,4,6,9,14H2,1-3H3/b8-7-,10-5+.
What are the key properties of (Z,4E)-4-ethylidene-1-fluoro-3-methoxynon-5-en-2-amine?
(Z,4E)-4-ethylidene-1-fluoro-3-methoxynon-5-en-2-amine has a molecular weight of 215.31 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-4-ethylidene-1-fluoro-3-methoxynon-5-en-2-amine is sourced from PubChem (CID 129313612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).