4-fluoropentyl formate

C6H11FO2 — CID 87282632

IUPAC4-fluoropentyl formate
SMILESCC(F)CCCOC=O
InChIInChI=1S/C6H11FO2/c1-6(7)3-2-4-9-5-8/h5-6H,2-4H2,1H3
InChIKeyXJSWWISRGTZQRJ-UHFFFAOYSA-N
MW134.15 g/mol
LogP1.30
Rot. Bonds5

About 4-fluoropentyl formate

4-fluoropentyl formate (PubChem CID 87282632) has the molecular formula C6H11FO2 and a molecular weight of 134.15 g/mol. Its IUPAC name is 4-fluoropentyl formate.

Molecular Properties

Compound Name4-fluoropentyl formate
PubChem CID87282632
Molecular FormulaC6H11FO2
Molecular Weight134.15 g/mol
Exact Mass134.07
IUPAC Name4-fluoropentyl formate
SMILESCC(F)CCCOC=O
InChIInChI=1S/C6H11FO2/c1-6(7)3-2-4-9-5-8/h5-6H,2-4H2,1H3
InChIKeyXJSWWISRGTZQRJ-UHFFFAOYSA-N
XLogP1.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pentyl formate
CID 12529
Hexyl Formate
CID 61177
Hexyl carbonofluoridate
CID 12030548
4-Fluorobutyl formate
CID 17911645
5-Fluoropentyl formate
CID 17911650
6-Fluorohexyl formate
CID 17911651
2-Fluorohexyl formate
CID 21617075
2-Fluoropentyl formate
CID 21617077
2-Fluorobutyl formate
CID 21617078
(2-Fluoro-4-methylpentyl) formate
CID 21617089
Pentyl carbonofluoridate
CID 53669378
5,5,5-Trifluoropentyl formate
CID 53879309

Frequently Asked Questions

What is the IUPAC name of 4-fluoropentyl formate?
The IUPAC name of 4-fluoropentyl formate (CID 87282632) is 4-fluoropentyl formate.
What is the SMILES notation for 4-fluoropentyl formate?
The canonical SMILES for 4-fluoropentyl formate is CC(F)CCCOC=O.
What is the InChIKey of 4-fluoropentyl formate?
The InChIKey is XJSWWISRGTZQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO2/c1-6(7)3-2-4-9-5-8/h5-6H,2-4H2,1H3.
What are the key properties of 4-fluoropentyl formate?
4-fluoropentyl formate has a molecular weight of 134.15 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoropentyl formate is sourced from PubChem (CID 87282632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).