4-(3-fluoropropyl)-5-methyloxolan-3-one

C8H13FO2 — CID 164645640

IUPAC4-(3-fluoropropyl)-5-methyloxolan-3-one
SMILESCC1OCC(=O)C1CCCF
InChIInChI=1S/C8H13FO2/c1-6-7(3-2-4-9)8(10)5-11-6/h6-7H,2-5H2,1H3
InChIKeyDIKNCIKMHFDCIC-UHFFFAOYSA-N
MW160.19 g/mol
LogP1.34
Rot. Bonds3

About 4-(3-fluoropropyl)-5-methyloxolan-3-one

4-(3-fluoropropyl)-5-methyloxolan-3-one (PubChem CID 164645640) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is 4-(3-fluoropropyl)-5-methyloxolan-3-one.

Molecular Properties

Compound Name4-(3-fluoropropyl)-5-methyloxolan-3-one
PubChem CID164645640
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name4-(3-fluoropropyl)-5-methyloxolan-3-one
SMILESCC1OCC(=O)C1CCCF
InChIInChI=1S/C8H13FO2/c1-6-7(3-2-4-9)8(10)5-11-6/h6-7H,2-5H2,1H3
InChIKeyDIKNCIKMHFDCIC-UHFFFAOYSA-N
XLogP1.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropyl)-5-methyloxolan-3-one?
The IUPAC name of 4-(3-fluoropropyl)-5-methyloxolan-3-one (CID 164645640) is 4-(3-fluoropropyl)-5-methyloxolan-3-one.
What is the SMILES notation for 4-(3-fluoropropyl)-5-methyloxolan-3-one?
The canonical SMILES for 4-(3-fluoropropyl)-5-methyloxolan-3-one is CC1OCC(=O)C1CCCF.
What is the InChIKey of 4-(3-fluoropropyl)-5-methyloxolan-3-one?
The InChIKey is DIKNCIKMHFDCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c1-6-7(3-2-4-9)8(10)5-11-6/h6-7H,2-5H2,1H3.
What are the key properties of 4-(3-fluoropropyl)-5-methyloxolan-3-one?
4-(3-fluoropropyl)-5-methyloxolan-3-one has a molecular weight of 160.19 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropyl)-5-methyloxolan-3-one is sourced from PubChem (CID 164645640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).