(Z,3E)-3-(1-fluoroethylidene)hept-4-en-1-amine

C9H16FN — CID 143653048

IUPAC(Z,3E)-3-(1-fluoroethylidene)hept-4-en-1-amine
SMILESCC/C=C\C(CCN)=C(/C)F
InChIInChI=1S/C9H16FN/c1-3-4-5-9(6-7-11)8(2)10/h4-5H,3,6-7,11H2,1-2H3/b5-4-,9-8-
InChIKeyCFSBMXOIQQOHBQ-WPAMCMATSA-N
MW157.23 g/mol
LogP2.54
Rot. Bonds4

About (Z,3E)-3-(1-fluoroethylidene)hept-4-en-1-amine

(Z,3E)-3-(1-fluoroethylidene)hept-4-en-1-amine (PubChem CID 143653048) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (Z,3E)-3-(1-fluoroethylidene)hept-4-en-1-amine.

Molecular Properties

Compound Name(Z,3E)-3-(1-fluoroethylidene)hept-4-en-1-amine
PubChem CID143653048
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(Z,3E)-3-(1-fluoroethylidene)hept-4-en-1-amine
SMILESCC/C=C\C(CCN)=C(/C)F
InChIInChI=1S/C9H16FN/c1-3-4-5-9(6-7-11)8(2)10/h4-5H,3,6-7,11H2,1-2H3/b5-4-,9-8-
InChIKeyCFSBMXOIQQOHBQ-WPAMCMATSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.54
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

3,4-Dihydrophenylethyl-amine
CID 21074092
(4E,6E)-octa-4,6-dien-1-amine
CID 55290579
(2E,4E)-5-fluoro-4-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 88267041
2-(4-Fluoro-3-methylcyclohexa-1,5-dien-1-yl)ethanamine
CID 89024296
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89035224
(2E,4E)-5-fluoro-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 89084822
(Z)-5-fluoro-2-methylidenehept-3-en-1-amine
CID 89090828
(Z)-2-ethyl-5-fluorohex-3-en-1-amine
CID 89090863
(3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-1-amine
CID 89099064
(E)-2-ethenyl-5-fluorohex-2-en-1-amine
CID 89126655
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
(4Z)-2,6-difluorohepta-4,6-dien-1-amine
CID 89154005

Frequently Asked Questions

What is the IUPAC name of (Z,3E)-3-(1-fluoroethylidene)hept-4-en-1-amine?
The IUPAC name of (Z,3E)-3-(1-fluoroethylidene)hept-4-en-1-amine (CID 143653048) is (Z,3E)-3-(1-fluoroethylidene)hept-4-en-1-amine.
What is the SMILES notation for (Z,3E)-3-(1-fluoroethylidene)hept-4-en-1-amine?
The canonical SMILES for (Z,3E)-3-(1-fluoroethylidene)hept-4-en-1-amine is CC/C=C\C(CCN)=C(/C)F.
What is the InChIKey of (Z,3E)-3-(1-fluoroethylidene)hept-4-en-1-amine?
The InChIKey is CFSBMXOIQQOHBQ-WPAMCMATSA-N. The full InChI is InChI=1S/C9H16FN/c1-3-4-5-9(6-7-11)8(2)10/h4-5H,3,6-7,11H2,1-2H3/b5-4-,9-8-.
What are the key properties of (Z,3E)-3-(1-fluoroethylidene)hept-4-en-1-amine?
(Z,3E)-3-(1-fluoroethylidene)hept-4-en-1-amine has a molecular weight of 157.23 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-(1-fluoroethylidene)hept-4-en-1-amine is sourced from PubChem (CID 143653048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).