2-[(3,3-difluorocyclobutyl)methyl]oxolane-2-carboxylic acid

C10H14F2O3 — CID 127019760

IUPAC2-[(3,3-difluorocyclobutyl)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1(CC2CC(F)(F)C2)CCCO1
InChIInChI=1S/C10H14F2O3/c11-10(12)5-7(6-10)4-9(8(13)14)2-1-3-15-9/h7H,1-6H2,(H,13,14)
InChIKeyMFTWSXSBLNUXHF-UHFFFAOYSA-N
MW220.21 g/mol
LogP2.06
Rot. Bonds3

About 2-[(3,3-difluorocyclobutyl)methyl]oxolane-2-carboxylic acid

2-[(3,3-difluorocyclobutyl)methyl]oxolane-2-carboxylic acid (PubChem CID 127019760) has the molecular formula C10H14F2O3 and a molecular weight of 220.21 g/mol. Its IUPAC name is 2-[(3,3-difluorocyclobutyl)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-[(3,3-difluorocyclobutyl)methyl]oxolane-2-carboxylic acid
PubChem CID127019760
Molecular FormulaC10H14F2O3
Molecular Weight220.21 g/mol
Exact Mass220.09
IUPAC Name2-[(3,3-difluorocyclobutyl)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1(CC2CC(F)(F)C2)CCCO1
InChIInChI=1S/C10H14F2O3/c11-10(12)5-7(6-10)4-9(8(13)14)2-1-3-15-9/h7H,1-6H2,(H,13,14)
InChIKeyMFTWSXSBLNUXHF-UHFFFAOYSA-N
XLogP2.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluorocyclobutyl)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 2-[(3,3-difluorocyclobutyl)methyl]oxolane-2-carboxylic acid (CID 127019760) is 2-[(3,3-difluorocyclobutyl)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 2-[(3,3-difluorocyclobutyl)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 2-[(3,3-difluorocyclobutyl)methyl]oxolane-2-carboxylic acid is O=C(O)C1(CC2CC(F)(F)C2)CCCO1.
What is the InChIKey of 2-[(3,3-difluorocyclobutyl)methyl]oxolane-2-carboxylic acid?
The InChIKey is MFTWSXSBLNUXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O3/c11-10(12)5-7(6-10)4-9(8(13)14)2-1-3-15-9/h7H,1-6H2,(H,13,14).
What are the key properties of 2-[(3,3-difluorocyclobutyl)methyl]oxolane-2-carboxylic acid?
2-[(3,3-difluorocyclobutyl)methyl]oxolane-2-carboxylic acid has a molecular weight of 220.21 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluorocyclobutyl)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 127019760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).