3-(fluoromethylidene)pentan-1-ol

C6H11FO — CID 163904818

IUPAC3-(fluoromethylidene)pentan-1-ol
SMILESCCC(=CF)CCO
InChIInChI=1S/C6H11FO/c1-2-6(5-7)3-4-8/h5,8H,2-4H2,1H3
InChIKeyOVUKIPPRXXQWFP-UHFFFAOYSA-N
MW118.15 g/mol
LogP1.63
Rot. Bonds3

About 3-(fluoromethylidene)pentan-1-ol

3-(fluoromethylidene)pentan-1-ol (PubChem CID 163904818) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 3-(fluoromethylidene)pentan-1-ol.

Molecular Properties

Compound Name3-(fluoromethylidene)pentan-1-ol
PubChem CID163904818
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name3-(fluoromethylidene)pentan-1-ol
SMILESCCC(=CF)CCO
InChIInChI=1S/C6H11FO/c1-2-6(5-7)3-4-8/h5,8H,2-4H2,1H3
InChIKeyOVUKIPPRXXQWFP-UHFFFAOYSA-N
XLogP1.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethylidene)pentan-1-ol?
The IUPAC name of 3-(fluoromethylidene)pentan-1-ol (CID 163904818) is 3-(fluoromethylidene)pentan-1-ol.
What is the SMILES notation for 3-(fluoromethylidene)pentan-1-ol?
The canonical SMILES for 3-(fluoromethylidene)pentan-1-ol is CCC(=CF)CCO.
What is the InChIKey of 3-(fluoromethylidene)pentan-1-ol?
The InChIKey is OVUKIPPRXXQWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c1-2-6(5-7)3-4-8/h5,8H,2-4H2,1H3.
What are the key properties of 3-(fluoromethylidene)pentan-1-ol?
3-(fluoromethylidene)pentan-1-ol has a molecular weight of 118.15 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethylidene)pentan-1-ol is sourced from PubChem (CID 163904818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).