(Z)-4-fluoro-6-methylhept-4-en-1-yn-3-ol

C8H11FO — CID 18611128

IUPAC(Z)-4-fluoro-6-methylhept-4-en-1-yn-3-ol
SMILESC#CC(O)/C(F)=C/C(C)C
InChIInChI=1S/C8H11FO/c1-4-8(10)7(9)5-6(2)3/h1,5-6,8,10H,2-3H3/b7-5-
InChIKeySCIAXINKNSDTSS-ALCCZGGFSA-N
MW142.17 g/mol
LogP1.49
Rot. Bonds2

About (Z)-4-fluoro-6-methylhept-4-en-1-yn-3-ol

(Z)-4-fluoro-6-methylhept-4-en-1-yn-3-ol (PubChem CID 18611128) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is (Z)-4-fluoro-6-methylhept-4-en-1-yn-3-ol.

Molecular Properties

Compound Name(Z)-4-fluoro-6-methylhept-4-en-1-yn-3-ol
PubChem CID18611128
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name(Z)-4-fluoro-6-methylhept-4-en-1-yn-3-ol
SMILESC#CC(O)/C(F)=C/C(C)C
InChIInChI=1S/C8H11FO/c1-4-8(10)7(9)5-6(2)3/h1,5-6,8,10H,2-3H3/b7-5-
InChIKeySCIAXINKNSDTSS-ALCCZGGFSA-N
XLogP1.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-fluoro-6-methylhept-4-en-1-yn-3-ol?
The IUPAC name of (Z)-4-fluoro-6-methylhept-4-en-1-yn-3-ol (CID 18611128) is (Z)-4-fluoro-6-methylhept-4-en-1-yn-3-ol.
What is the SMILES notation for (Z)-4-fluoro-6-methylhept-4-en-1-yn-3-ol?
The canonical SMILES for (Z)-4-fluoro-6-methylhept-4-en-1-yn-3-ol is C#CC(O)/C(F)=C/C(C)C.
What is the InChIKey of (Z)-4-fluoro-6-methylhept-4-en-1-yn-3-ol?
The InChIKey is SCIAXINKNSDTSS-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H11FO/c1-4-8(10)7(9)5-6(2)3/h1,5-6,8,10H,2-3H3/b7-5-.
What are the key properties of (Z)-4-fluoro-6-methylhept-4-en-1-yn-3-ol?
(Z)-4-fluoro-6-methylhept-4-en-1-yn-3-ol has a molecular weight of 142.17 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-fluoro-6-methylhept-4-en-1-yn-3-ol is sourced from PubChem (CID 18611128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).