(Z)-2-fluoro-3-methylhept-2-enoic acid

C8H13FO2 — CID 87956415

IUPAC(Z)-2-fluoro-3-methylhept-2-enoic acid
SMILESCCCC/C(C)=C(\F)C(=O)O
InChIInChI=1S/C8H13FO2/c1-3-4-5-6(2)7(9)8(10)11/h3-5H2,1-2H3,(H,10,11)/b7-6-
InChIKeyQLAGKMMQDHDIRO-SREVYHEPSA-N
MW160.19 g/mol
LogP2.50
Rot. Bonds4

About (Z)-2-fluoro-3-methylhept-2-enoic acid

(Z)-2-fluoro-3-methylhept-2-enoic acid (PubChem CID 87956415) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is (Z)-2-fluoro-3-methylhept-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-fluoro-3-methylhept-2-enoic acid
PubChem CID87956415
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name(Z)-2-fluoro-3-methylhept-2-enoic acid
SMILESCCCC/C(C)=C(\F)C(=O)O
InChIInChI=1S/C8H13FO2/c1-3-4-5-6(2)7(9)8(10)11/h3-5H2,1-2H3,(H,10,11)/b7-6-
InChIKeyQLAGKMMQDHDIRO-SREVYHEPSA-N
XLogP2.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-3-methylhept-2-enoic acid?
The IUPAC name of (Z)-2-fluoro-3-methylhept-2-enoic acid (CID 87956415) is (Z)-2-fluoro-3-methylhept-2-enoic acid.
What is the SMILES notation for (Z)-2-fluoro-3-methylhept-2-enoic acid?
The canonical SMILES for (Z)-2-fluoro-3-methylhept-2-enoic acid is CCCC/C(C)=C(\F)C(=O)O.
What is the InChIKey of (Z)-2-fluoro-3-methylhept-2-enoic acid?
The InChIKey is QLAGKMMQDHDIRO-SREVYHEPSA-N. The full InChI is InChI=1S/C8H13FO2/c1-3-4-5-6(2)7(9)8(10)11/h3-5H2,1-2H3,(H,10,11)/b7-6-.
What are the key properties of (Z)-2-fluoro-3-methylhept-2-enoic acid?
(Z)-2-fluoro-3-methylhept-2-enoic acid has a molecular weight of 160.19 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-methylhept-2-enoic acid is sourced from PubChem (CID 87956415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).