(Z,2R,3R,4Z)-4-(1-fluoroethylidene)hept-5-ene-2,3-diol

C9H15FO2 — CID 90436494

IUPAC(Z,2R,3R,4Z)-4-(1-fluoroethylidene)hept-5-ene-2,3-diol
SMILESC/C=C\C(=C(/C)F)[C@@H](O)[C@@H](C)O
InChIInChI=1S/C9H15FO2/c1-4-5-8(6(2)10)9(12)7(3)11/h4-5,7,9,11-12H,1-3H3/b5-4-,8-6-/t7-,9+/m1/s1
InChIKeyTVXCHKUEYPHWHG-DXIXNZIUSA-N
MW174.22 g/mol
LogP1.55
Rot. Bonds3

About (Z,2R,3R,4Z)-4-(1-fluoroethylidene)hept-5-ene-2,3-diol

(Z,2R,3R,4Z)-4-(1-fluoroethylidene)hept-5-ene-2,3-diol (PubChem CID 90436494) has the molecular formula C9H15FO2 and a molecular weight of 174.22 g/mol. Its IUPAC name is (Z,2R,3R,4Z)-4-(1-fluoroethylidene)hept-5-ene-2,3-diol.

Molecular Properties

Compound Name(Z,2R,3R,4Z)-4-(1-fluoroethylidene)hept-5-ene-2,3-diol
PubChem CID90436494
Molecular FormulaC9H15FO2
Molecular Weight174.22 g/mol
Exact Mass174.11
IUPAC Name(Z,2R,3R,4Z)-4-(1-fluoroethylidene)hept-5-ene-2,3-diol
SMILESC/C=C\C(=C(/C)F)[C@@H](O)[C@@H](C)O
InChIInChI=1S/C9H15FO2/c1-4-5-8(6(2)10)9(12)7(3)11/h4-5,7,9,11-12H,1-3H3/b5-4-,8-6-/t7-,9+/m1/s1
InChIKeyTVXCHKUEYPHWHG-DXIXNZIUSA-N
XLogP1.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2R,3R,4Z)-4-(1-fluoroethylidene)hept-5-ene-2,3-diol?
The IUPAC name of (Z,2R,3R,4Z)-4-(1-fluoroethylidene)hept-5-ene-2,3-diol (CID 90436494) is (Z,2R,3R,4Z)-4-(1-fluoroethylidene)hept-5-ene-2,3-diol.
What is the SMILES notation for (Z,2R,3R,4Z)-4-(1-fluoroethylidene)hept-5-ene-2,3-diol?
The canonical SMILES for (Z,2R,3R,4Z)-4-(1-fluoroethylidene)hept-5-ene-2,3-diol is C/C=C\C(=C(/C)F)[C@@H](O)[C@@H](C)O.
What is the InChIKey of (Z,2R,3R,4Z)-4-(1-fluoroethylidene)hept-5-ene-2,3-diol?
The InChIKey is TVXCHKUEYPHWHG-DXIXNZIUSA-N. The full InChI is InChI=1S/C9H15FO2/c1-4-5-8(6(2)10)9(12)7(3)11/h4-5,7,9,11-12H,1-3H3/b5-4-,8-6-/t7-,9+/m1/s1.
What are the key properties of (Z,2R,3R,4Z)-4-(1-fluoroethylidene)hept-5-ene-2,3-diol?
(Z,2R,3R,4Z)-4-(1-fluoroethylidene)hept-5-ene-2,3-diol has a molecular weight of 174.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R,3R,4Z)-4-(1-fluoroethylidene)hept-5-ene-2,3-diol is sourced from PubChem (CID 90436494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).