(1R)-2,2-difluoro-1-methoxycarbonylspiro[2.3]hexane-5-carboxylic acid

C9H10F2O4 — CID 154577292

IUPAC(1R)-2,2-difluoro-1-methoxycarbonylspiro[2.3]hexane-5-carboxylic acid
SMILESCOC(=O)[C@@H]1C(F)(F)C12CC(C(=O)O)C2
InChIInChI=1S/C9H10F2O4/c1-15-7(14)5-8(9(5,10)11)2-4(3-8)6(12)13/h4-5H,2-3H2,1H3,(H,12,13)/t4?,5-,8?/m0/s1
InChIKeyBHFMPNRBPWSNCU-OBTXSVHCSA-N
MW220.17 g/mol
LogP0.91
Rot. Bonds2

About (1R)-2,2-difluoro-1-methoxycarbonylspiro[2.3]hexane-5-carboxylic acid

(1R)-2,2-difluoro-1-methoxycarbonylspiro[2.3]hexane-5-carboxylic acid (PubChem CID 154577292) has the molecular formula C9H10F2O4 and a molecular weight of 220.17 g/mol. Its IUPAC name is (1R)-2,2-difluoro-1-methoxycarbonylspiro[2.3]hexane-5-carboxylic acid.

Molecular Properties

Compound Name(1R)-2,2-difluoro-1-methoxycarbonylspiro[2.3]hexane-5-carboxylic acid
PubChem CID154577292
Molecular FormulaC9H10F2O4
Molecular Weight220.17 g/mol
Exact Mass220.05
IUPAC Name(1R)-2,2-difluoro-1-methoxycarbonylspiro[2.3]hexane-5-carboxylic acid
SMILESCOC(=O)[C@@H]1C(F)(F)C12CC(C(=O)O)C2
InChIInChI=1S/C9H10F2O4/c1-15-7(14)5-8(9(5,10)11)2-4(3-8)6(12)13/h4-5H,2-3H2,1H3,(H,12,13)/t4?,5-,8?/m0/s1
InChIKeyBHFMPNRBPWSNCU-OBTXSVHCSA-N
XLogP0.91
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.17
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pinic acid
CID 10131
2,2-Difluorospiro[2.3]hexane-1-carboxylic acid
CID 130743894
(1S,3S)-3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid
CID 12314327
1-(Ethoxycarbonyl)spiro(2.3)hexane-5-carboxylic acid
CID 132354131
5,5-Difluorospiro(2.3)hexane-1-carboxylic acid
CID 146082576
Cyclopropanecarboxylic acid, 2-(2,2,3,3-tetrafluorocyclobutyl)-, methyl ester
CID 548013
5,5-Dimethylspiro[2.3]hexane-1-carboxylic acid
CID 126970860
3-(3,3-Difluorocyclobutyl)-2,2-dimethylpropanoic acid
CID 131111159
1-Cyclobutyl-2,2-difluorocyclopropane-1-carboxylic acid
CID 137964703
9,9-Difluorodispiro[3.0.3^{5}.1^{4}]nonane-2-carboxylic acid
CID 145913171
6-Methoxy-6-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid
CID 155821950
Cis-Pinic Acid
CID 10679112

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-1-methoxycarbonylspiro[2.3]hexane-5-carboxylic acid?
The IUPAC name of (1R)-2,2-difluoro-1-methoxycarbonylspiro[2.3]hexane-5-carboxylic acid (CID 154577292) is (1R)-2,2-difluoro-1-methoxycarbonylspiro[2.3]hexane-5-carboxylic acid.
What is the SMILES notation for (1R)-2,2-difluoro-1-methoxycarbonylspiro[2.3]hexane-5-carboxylic acid?
The canonical SMILES for (1R)-2,2-difluoro-1-methoxycarbonylspiro[2.3]hexane-5-carboxylic acid is COC(=O)[C@@H]1C(F)(F)C12CC(C(=O)O)C2.
What is the InChIKey of (1R)-2,2-difluoro-1-methoxycarbonylspiro[2.3]hexane-5-carboxylic acid?
The InChIKey is BHFMPNRBPWSNCU-OBTXSVHCSA-N. The full InChI is InChI=1S/C9H10F2O4/c1-15-7(14)5-8(9(5,10)11)2-4(3-8)6(12)13/h4-5H,2-3H2,1H3,(H,12,13)/t4?,5-,8?/m0/s1.
What are the key properties of (1R)-2,2-difluoro-1-methoxycarbonylspiro[2.3]hexane-5-carboxylic acid?
(1R)-2,2-difluoro-1-methoxycarbonylspiro[2.3]hexane-5-carboxylic acid has a molecular weight of 220.17 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-1-methoxycarbonylspiro[2.3]hexane-5-carboxylic acid is sourced from PubChem (CID 154577292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).