4-fluoro-3-propyloxane-3-carboxylic acid

C9H15FO3 — CID 84771489

IUPAC4-fluoro-3-propyloxane-3-carboxylic acid
SMILESCCCC1(C(=O)O)COCCC1F
InChIInChI=1S/C9H15FO3/c1-2-4-9(8(11)12)6-13-5-3-7(9)10/h7H,2-6H2,1H3,(H,11,12)
InChIKeyHGLQIZCHYLNTMB-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.62
Rot. Bonds3

About 4-fluoro-3-propyloxane-3-carboxylic acid

4-fluoro-3-propyloxane-3-carboxylic acid (PubChem CID 84771489) has the molecular formula C9H15FO3 and a molecular weight of 190.21 g/mol. Its IUPAC name is 4-fluoro-3-propyloxane-3-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-3-propyloxane-3-carboxylic acid
PubChem CID84771489
Molecular FormulaC9H15FO3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name4-fluoro-3-propyloxane-3-carboxylic acid
SMILESCCCC1(C(=O)O)COCCC1F
InChIInChI=1S/C9H15FO3/c1-2-4-9(8(11)12)6-13-5-3-7(9)10/h7H,2-6H2,1H3,(H,11,12)
InChIKeyHGLQIZCHYLNTMB-UHFFFAOYSA-N
XLogP1.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethyloxane-3-carboxylic acid
CID 63013275
2-Ethyloxane-3-carboxylic acid
CID 79368598
2-Methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 55106871
3-[3-(2,2,2-Trifluoroethoxy)propyl]oxane-3-carboxylic acid
CID 55150695
3-(Fluoromethyl)oxane-3-carboxylic acid
CID 84764464
4-Fluoro-3-methyloxane-3-carboxylic acid
CID 84764466
3-Ethyl-4-fluorooxane-3-carboxylic acid
CID 84767107
4,4-Difluoro-3-methyloxane-3-carboxylic acid
CID 84768082
Methyl 3-ethyl-4-fluorooxane-3-carboxylate
CID 84771490
3-Ethyl-4,4-difluorooxane-3-carboxylic acid
CID 84773056
3-(Cyclopropylmethyl)-4-fluorooxane-3-carboxylic acid
CID 84776747
4-Fluoro-3-(2-methylpropyl)oxane-3-carboxylic acid
CID 84777881

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-propyloxane-3-carboxylic acid?
The IUPAC name of 4-fluoro-3-propyloxane-3-carboxylic acid (CID 84771489) is 4-fluoro-3-propyloxane-3-carboxylic acid.
What is the SMILES notation for 4-fluoro-3-propyloxane-3-carboxylic acid?
The canonical SMILES for 4-fluoro-3-propyloxane-3-carboxylic acid is CCCC1(C(=O)O)COCCC1F.
What is the InChIKey of 4-fluoro-3-propyloxane-3-carboxylic acid?
The InChIKey is HGLQIZCHYLNTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO3/c1-2-4-9(8(11)12)6-13-5-3-7(9)10/h7H,2-6H2,1H3,(H,11,12).
What are the key properties of 4-fluoro-3-propyloxane-3-carboxylic acid?
4-fluoro-3-propyloxane-3-carboxylic acid has a molecular weight of 190.21 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-propyloxane-3-carboxylic acid is sourced from PubChem (CID 84771489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).