(3Z,7E)-7-fluoro-2,5,6-trimethylidenedeca-3,7,9-trien-1-amine

C13H16FN — CID 163300539

IUPAC(3Z,7E)-7-fluoro-2,5,6-trimethylidenedeca-3,7,9-trien-1-amine
SMILESC=C/C=C(/F)C(=C)C(=C)/C=C/C(=C)CN
InChIInChI=1S/C13H16FN/c1-5-6-13(14)12(4)11(3)8-7-10(2)9-15/h5-8H,1-4,9,15H2/b8-7-,13-6+
InChIKeyHSFONLFUCNRKMT-ZUKYEBQOSA-N
MW205.28 g/mol
LogP3.21
Rot. Bonds6

About (3Z,7E)-7-fluoro-2,5,6-trimethylidenedeca-3,7,9-trien-1-amine

(3Z,7E)-7-fluoro-2,5,6-trimethylidenedeca-3,7,9-trien-1-amine (PubChem CID 163300539) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is (3Z,7E)-7-fluoro-2,5,6-trimethylidenedeca-3,7,9-trien-1-amine.

Molecular Properties

Compound Name(3Z,7E)-7-fluoro-2,5,6-trimethylidenedeca-3,7,9-trien-1-amine
PubChem CID163300539
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name(3Z,7E)-7-fluoro-2,5,6-trimethylidenedeca-3,7,9-trien-1-amine
SMILESC=C/C=C(/F)C(=C)C(=C)/C=C/C(=C)CN
InChIInChI=1S/C13H16FN/c1-5-6-13(14)12(4)11(3)8-7-10(2)9-15/h5-8H,1-4,9,15H2/b8-7-,13-6+
InChIKeyHSFONLFUCNRKMT-ZUKYEBQOSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.21
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

(3Z,7E)-7-fluoro-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
CID 145234991
(3Z,7Z,11Z)-7,8-difluoro-2,5,6,9,10-pentamethylidenetetradeca-3,7,11,13-tetraen-1-ol
CID 144676255
(3E)-3-fluoro-2-(fluoromethoxy)hexa-1,3,5-triene
CID 143908605
(3E)-3-fluoro-2-methylidenehexa-3,5-dienal
CID 142607987
(5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride
CID 143773200
(4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane
CID 144604196
(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine
CID 144685434
(3Z,5E)-6-methyl-2-methylideneocta-3,5,7-trien-1-amine
CID 143819016
ethane;(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine
CID 144685433
(3Z,7Z)-2-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143982603
ethane;(3Z,6E)-6-ethyl-5-methylidenenona-1,3,6,8-tetraen-2-amine
CID 142290491
(3Z,6E)-6-fluoro-4-methyl-5-methylidenenona-3,6,8-trien-2-one;molecular hydrogen
CID 163264892

Frequently Asked Questions

What is the IUPAC name of (3Z,7E)-7-fluoro-2,5,6-trimethylidenedeca-3,7,9-trien-1-amine?
The IUPAC name of (3Z,7E)-7-fluoro-2,5,6-trimethylidenedeca-3,7,9-trien-1-amine (CID 163300539) is (3Z,7E)-7-fluoro-2,5,6-trimethylidenedeca-3,7,9-trien-1-amine.
What is the SMILES notation for (3Z,7E)-7-fluoro-2,5,6-trimethylidenedeca-3,7,9-trien-1-amine?
The canonical SMILES for (3Z,7E)-7-fluoro-2,5,6-trimethylidenedeca-3,7,9-trien-1-amine is C=C/C=C(/F)C(=C)C(=C)/C=C/C(=C)CN.
What is the InChIKey of (3Z,7E)-7-fluoro-2,5,6-trimethylidenedeca-3,7,9-trien-1-amine?
The InChIKey is HSFONLFUCNRKMT-ZUKYEBQOSA-N. The full InChI is InChI=1S/C13H16FN/c1-5-6-13(14)12(4)11(3)8-7-10(2)9-15/h5-8H,1-4,9,15H2/b8-7-,13-6+.
What are the key properties of (3Z,7E)-7-fluoro-2,5,6-trimethylidenedeca-3,7,9-trien-1-amine?
(3Z,7E)-7-fluoro-2,5,6-trimethylidenedeca-3,7,9-trien-1-amine has a molecular weight of 205.28 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7E)-7-fluoro-2,5,6-trimethylidenedeca-3,7,9-trien-1-amine is sourced from PubChem (CID 163300539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).