(1Z,3Z,5Z)-5-ethyl-2-fluorohepta-1,3,5-trien-1-ol

C9H13FO — CID 143502323

IUPAC(1Z,3Z,5Z)-5-ethyl-2-fluorohepta-1,3,5-trien-1-ol
SMILESC/C=C(\C=C/C(F)=C/O)CC
InChIInChI=1S/C9H13FO/c1-3-8(4-2)5-6-9(10)7-11/h3,5-7,11H,4H2,1-2H3/b6-5-,8-3-,9-7-
InChIKeyNPQXKOZLABWKPZ-KNDAQFPQSA-N
MW156.20 g/mol
LogP3.27
Rot. Bonds3

About (1Z,3Z,5Z)-5-ethyl-2-fluorohepta-1,3,5-trien-1-ol

(1Z,3Z,5Z)-5-ethyl-2-fluorohepta-1,3,5-trien-1-ol (PubChem CID 143502323) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is (1Z,3Z,5Z)-5-ethyl-2-fluorohepta-1,3,5-trien-1-ol.

Molecular Properties

Compound Name(1Z,3Z,5Z)-5-ethyl-2-fluorohepta-1,3,5-trien-1-ol
PubChem CID143502323
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name(1Z,3Z,5Z)-5-ethyl-2-fluorohepta-1,3,5-trien-1-ol
SMILESC/C=C(\C=C/C(F)=C/O)CC
InChIInChI=1S/C9H13FO/c1-3-8(4-2)5-6-9(10)7-11/h3,5-7,11H,4H2,1-2H3/b6-5-,8-3-,9-7-
InChIKeyNPQXKOZLABWKPZ-KNDAQFPQSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-4-ethylhexa-2,4-dienoic acid
CID 10942523
3-ethyl-N,N-dimethylpenta-1,3-dien-1-amine
CID 123262723
(2E,4E)-3-ethylhepta-2,4-diene
CID 19878662
ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene
CID 144709527
(3Z,5Z)-5-ethyl-2-propan-2-yloxyhepta-1,3,5-triene
CID 88543617
(NE)-N-[(4Z,6E)-6-fluoroocta-4,6-dien-3-ylidene]hydroxylamine
CID 118667310
(3Z,5Z)-5-ethyl-2-methoxyhepta-1,3,5-triene
CID 142868554
5-ethyl-2-methylidenehepta-3,5-dienoic acid
CID 91121343
ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene
CID 145142585
(3Z,5Z)-5-ethylhepta-1,3,5-triene;methane
CID 143680457
ethene;(2Z,4Z)-3-ethyl-7,7,7-trifluorohepta-2,4-diene
CID 142112959
(1E,3Z,5Z)-1-chloro-5-ethylhepta-1,3,5-triene;ethane
CID 143343718

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5Z)-5-ethyl-2-fluorohepta-1,3,5-trien-1-ol?
The IUPAC name of (1Z,3Z,5Z)-5-ethyl-2-fluorohepta-1,3,5-trien-1-ol (CID 143502323) is (1Z,3Z,5Z)-5-ethyl-2-fluorohepta-1,3,5-trien-1-ol.
What is the SMILES notation for (1Z,3Z,5Z)-5-ethyl-2-fluorohepta-1,3,5-trien-1-ol?
The canonical SMILES for (1Z,3Z,5Z)-5-ethyl-2-fluorohepta-1,3,5-trien-1-ol is C/C=C(\C=C/C(F)=C/O)CC.
What is the InChIKey of (1Z,3Z,5Z)-5-ethyl-2-fluorohepta-1,3,5-trien-1-ol?
The InChIKey is NPQXKOZLABWKPZ-KNDAQFPQSA-N. The full InChI is InChI=1S/C9H13FO/c1-3-8(4-2)5-6-9(10)7-11/h3,5-7,11H,4H2,1-2H3/b6-5-,8-3-,9-7-.
What are the key properties of (1Z,3Z,5Z)-5-ethyl-2-fluorohepta-1,3,5-trien-1-ol?
(1Z,3Z,5Z)-5-ethyl-2-fluorohepta-1,3,5-trien-1-ol has a molecular weight of 156.20 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z)-5-ethyl-2-fluorohepta-1,3,5-trien-1-ol is sourced from PubChem (CID 143502323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).