2,2-difluoro-5-methylspiro[2.3]hexane-5-carboxylic acid

C8H10F2O2 — CID 118061823

IUPAC2,2-difluoro-5-methylspiro[2.3]hexane-5-carboxylic acid
SMILESCC1(C(=O)O)CC2(C1)CC2(F)F
InChIInChI=1S/C8H10F2O2/c1-6(5(11)12)2-7(3-6)4-8(7,9)10/h2-4H2,1H3,(H,11,12)
InChIKeyZLALTRNMQHAPGB-UHFFFAOYSA-N
MW176.16 g/mol
LogP1.90
Rot. Bonds1

About 2,2-difluoro-5-methylspiro[2.3]hexane-5-carboxylic acid

2,2-difluoro-5-methylspiro[2.3]hexane-5-carboxylic acid (PubChem CID 118061823) has the molecular formula C8H10F2O2 and a molecular weight of 176.16 g/mol. Its IUPAC name is 2,2-difluoro-5-methylspiro[2.3]hexane-5-carboxylic acid.

Molecular Properties

Compound Name2,2-difluoro-5-methylspiro[2.3]hexane-5-carboxylic acid
PubChem CID118061823
Molecular FormulaC8H10F2O2
Molecular Weight176.16 g/mol
Exact Mass176.06
IUPAC Name2,2-difluoro-5-methylspiro[2.3]hexane-5-carboxylic acid
SMILESCC1(C(=O)O)CC2(C1)CC2(F)F
InChIInChI=1S/C8H10F2O2/c1-6(5(11)12)2-7(3-6)4-8(7,9)10/h2-4H2,1H3,(H,11,12)
InChIKeyZLALTRNMQHAPGB-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-Difluorospiro[2.3]hexane-1-carboxylic acid
CID 130743894
1-Ethyl-3,3-difluorocyclopentane-1-carboxylic acid
CID 68932475
3,3-Difluoro-1-methylcyclopentane-1-carboxylic acid
CID 84764728
1-(1,1-Difluoroethyl)cyclobutane-1-carboxylic acid
CID 84764732
5-Methylspiro(2.3)hexane-5-carboxylic acid
CID 118062574
2-(3,3-Difluoro-1-methylcyclobutyl)acetic acid
CID 118062640
1,1-Difluorospiro(2.3)hexane-5-carboxylic acid
CID 118062966
3-(Trifluoromethyl)bicyclo[1.1.1]pentane-1-acetic Acid
CID 118937880
3-(1,1-Difluoroethyl)bicyclo(1.1.1)pentane-1-carboxylic acid
CID 118941236
rac-(1R,2R)-2-(1,1-difluoroethyl)cyclopropane-1-carboxylic acid
CID 137964699
5,5-Difluorospiro(2.3)hexane-1-carboxylic acid
CID 146082576
3-(2,2-Difluoroethyl)bicyclo[1.1.1]pentane-1-carboxylic acid
CID 155821968

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-methylspiro[2.3]hexane-5-carboxylic acid?
The IUPAC name of 2,2-difluoro-5-methylspiro[2.3]hexane-5-carboxylic acid (CID 118061823) is 2,2-difluoro-5-methylspiro[2.3]hexane-5-carboxylic acid.
What is the SMILES notation for 2,2-difluoro-5-methylspiro[2.3]hexane-5-carboxylic acid?
The canonical SMILES for 2,2-difluoro-5-methylspiro[2.3]hexane-5-carboxylic acid is CC1(C(=O)O)CC2(C1)CC2(F)F.
What is the InChIKey of 2,2-difluoro-5-methylspiro[2.3]hexane-5-carboxylic acid?
The InChIKey is ZLALTRNMQHAPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O2/c1-6(5(11)12)2-7(3-6)4-8(7,9)10/h2-4H2,1H3,(H,11,12).
What are the key properties of 2,2-difluoro-5-methylspiro[2.3]hexane-5-carboxylic acid?
2,2-difluoro-5-methylspiro[2.3]hexane-5-carboxylic acid has a molecular weight of 176.16 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-methylspiro[2.3]hexane-5-carboxylic acid is sourced from PubChem (CID 118061823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).