2-(3,3-difluorocyclobutyl)acetic acid

C6H8F2O2 — CID 71743770

IUPAC2-(3,3-difluorocyclobutyl)acetic acid
SMILESO=C(O)CC1CC(F)(F)C1
InChIInChI=1S/C6H8F2O2/c7-6(8)2-4(3-6)1-5(9)10/h4H,1-3H2,(H,9,10)
InChIKeyWLOWIPYSYJEWHB-UHFFFAOYSA-N
MW150.12 g/mol
LogP1.51
Rot. Bonds2

About 2-(3,3-difluorocyclobutyl)acetic acid

2-(3,3-difluorocyclobutyl)acetic acid (PubChem CID 71743770) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)acetic acid.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)acetic acid
PubChem CID71743770
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Name2-(3,3-difluorocyclobutyl)acetic acid
SMILESO=C(O)CC1CC(F)(F)C1
InChIInChI=1S/C6H8F2O2/c7-6(8)2-4(3-6)1-5(9)10/h4H,1-3H2,(H,9,10)
InChIKeyWLOWIPYSYJEWHB-UHFFFAOYSA-N
XLogP1.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methylcyclobutane-1-carboxylic acid
CID 13214071
Cyclobutanecarboxylic acid, 3-ethyl-
CID 47796
2-Cyclobutylacetic Acid
CID 1516411
3,3-Difluorocyclobutane-1-carboxylic acid
CID 13777789
(1R,2S)-2-Methylcyclobutane-1-carboxylic acid
CID 13214069
rac-(1R,2R)-2-methylcyclobutane-1-carboxylic acid
CID 13214070
3,3-Difluorocyclopentane-1-carboxylic acid
CID 53403837
3-(Trifluoromethyl)pentanoic acid
CID 14407062
2,2,3,3-Tetrafluorocyclobutane-1-carboxylic acid
CID 22572613
2,2-Difluorocyclobutane-1-carboxylic acid
CID 51358488
(1s,3s)-3-(Trifluoromethyl)cyclobutane-1-carboxylic acid
CID 53417580
2,2-Difluoro-2-(1-hydroxycyclobutyl)acetic acid
CID 62397463

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)acetic acid?
The IUPAC name of 2-(3,3-difluorocyclobutyl)acetic acid (CID 71743770) is 2-(3,3-difluorocyclobutyl)acetic acid.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)acetic acid?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)acetic acid is O=C(O)CC1CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)acetic acid?
The InChIKey is WLOWIPYSYJEWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O2/c7-6(8)2-4(3-6)1-5(9)10/h4H,1-3H2,(H,9,10).
What are the key properties of 2-(3,3-difluorocyclobutyl)acetic acid?
2-(3,3-difluorocyclobutyl)acetic acid has a molecular weight of 150.12 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)acetic acid is sourced from PubChem (CID 71743770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).