(2E)-2-(fluoromethylidene)-4-methylpentan-1-ol

C7H13FO — CID 14724209

IUPAC(2E)-2-(fluoromethylidene)-4-methylpentan-1-ol
SMILESCC(C)C/C(=C\F)CO
InChIInChI=1S/C7H13FO/c1-6(2)3-7(4-8)5-9/h4,6,9H,3,5H2,1-2H3/b7-4+
InChIKeyOBOLOHOJSRPUOK-QPJJXVBHSA-N
MW132.18 g/mol
LogP1.88
Rot. Bonds3

About (2E)-2-(fluoromethylidene)-4-methylpentan-1-ol

(2E)-2-(fluoromethylidene)-4-methylpentan-1-ol (PubChem CID 14724209) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is (2E)-2-(fluoromethylidene)-4-methylpentan-1-ol.

Molecular Properties

Compound Name(2E)-2-(fluoromethylidene)-4-methylpentan-1-ol
PubChem CID14724209
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name(2E)-2-(fluoromethylidene)-4-methylpentan-1-ol
SMILESCC(C)C/C(=C\F)CO
InChIInChI=1S/C7H13FO/c1-6(2)3-7(4-8)5-9/h4,6,9H,3,5H2,1-2H3/b7-4+
InChIKeyOBOLOHOJSRPUOK-QPJJXVBHSA-N
XLogP1.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(fluoromethylidene)-4-methylpentan-1-ol?
The IUPAC name of (2E)-2-(fluoromethylidene)-4-methylpentan-1-ol (CID 14724209) is (2E)-2-(fluoromethylidene)-4-methylpentan-1-ol.
What is the SMILES notation for (2E)-2-(fluoromethylidene)-4-methylpentan-1-ol?
The canonical SMILES for (2E)-2-(fluoromethylidene)-4-methylpentan-1-ol is CC(C)C/C(=C\F)CO.
What is the InChIKey of (2E)-2-(fluoromethylidene)-4-methylpentan-1-ol?
The InChIKey is OBOLOHOJSRPUOK-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H13FO/c1-6(2)3-7(4-8)5-9/h4,6,9H,3,5H2,1-2H3/b7-4+.
What are the key properties of (2E)-2-(fluoromethylidene)-4-methylpentan-1-ol?
(2E)-2-(fluoromethylidene)-4-methylpentan-1-ol has a molecular weight of 132.18 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(fluoromethylidene)-4-methylpentan-1-ol is sourced from PubChem (CID 14724209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).