4-(fluoromethyl)oxane-4-carboxylic acid

C7H11FO3 — CID 83815747

IUPAC4-(fluoromethyl)oxane-4-carboxylic acid
SMILESO=C(O)C1(CF)CCOCC1
InChIInChI=1S/C7H11FO3/c8-5-7(6(9)10)1-3-11-4-2-7/h1-5H2,(H,9,10)
InChIKeyDWUGJEHXFKHTNY-UHFFFAOYSA-N
MW162.16 g/mol
LogP0.84
Rot. Bonds2

About 4-(fluoromethyl)oxane-4-carboxylic acid

4-(fluoromethyl)oxane-4-carboxylic acid (PubChem CID 83815747) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is 4-(fluoromethyl)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(fluoromethyl)oxane-4-carboxylic acid
PubChem CID83815747
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name4-(fluoromethyl)oxane-4-carboxylic acid
SMILESO=C(O)C1(CF)CCOCC1
InChIInChI=1S/C7H11FO3/c8-5-7(6(9)10)1-3-11-4-2-7/h1-5H2,(H,9,10)
InChIKeyDWUGJEHXFKHTNY-UHFFFAOYSA-N
XLogP0.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluoroethyl)oxane-4-carboxylic acid
CID 80695924
4-(fluoromethyl)oxane-4-carboxamide
CID 122714179
1-(fluoromethyl)cycloheptane-1-carboxylic acid
CID 84766672
4-(3-carboxypropyl)oxane-4-carboxylic acid
CID 70529226
4-[(1-hydroxycyclopentyl)methyl]oxane-4-carboxylic acid
CID 79425395
3-ethyloxolane-3-carboxylic acid
CID 62740785
4-(fluoromethyl)-1-methylpiperidine-4-carboxylic acid
CID 83816581
4-[(propan-2-ylamino)methyl]oxane-4-carboxylic acid
CID 84670127
4-(azocan-1-ylmethyl)oxane-4-carboxylic acid
CID 62392737
CID 58245624
CID 58245624
4-[(propanoylamino)methyl]oxane-4-carboxylic acid
CID 115438294
4-pent-3-ynyloxane-4-carboxylic acid
CID 104808886

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)oxane-4-carboxylic acid?
The IUPAC name of 4-(fluoromethyl)oxane-4-carboxylic acid (CID 83815747) is 4-(fluoromethyl)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(fluoromethyl)oxane-4-carboxylic acid?
The canonical SMILES for 4-(fluoromethyl)oxane-4-carboxylic acid is O=C(O)C1(CF)CCOCC1.
What is the InChIKey of 4-(fluoromethyl)oxane-4-carboxylic acid?
The InChIKey is DWUGJEHXFKHTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO3/c8-5-7(6(9)10)1-3-11-4-2-7/h1-5H2,(H,9,10).
What are the key properties of 4-(fluoromethyl)oxane-4-carboxylic acid?
4-(fluoromethyl)oxane-4-carboxylic acid has a molecular weight of 162.16 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)oxane-4-carboxylic acid is sourced from PubChem (CID 83815747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).