2-(2,2-difluoro-1-hydroxycyclopentyl)-2-methylpropanoic acid

C9H14F2O3 — CID 170909956

IUPAC2-(2,2-difluoro-1-hydroxycyclopentyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1(O)CCCC1(F)F
InChIInChI=1S/C9H14F2O3/c1-7(2,6(12)13)8(14)4-3-5-9(8,10)11/h14H,3-5H2,1-2H3,(H,12,13)
InChIKeySNMPMWXGMWXHFH-UHFFFAOYSA-N
MW208.20 g/mol
LogP1.65
Rot. Bonds2

About 2-(2,2-difluoro-1-hydroxycyclopentyl)-2-methylpropanoic acid

2-(2,2-difluoro-1-hydroxycyclopentyl)-2-methylpropanoic acid (PubChem CID 170909956) has the molecular formula C9H14F2O3 and a molecular weight of 208.20 g/mol. Its IUPAC name is 2-(2,2-difluoro-1-hydroxycyclopentyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2,2-difluoro-1-hydroxycyclopentyl)-2-methylpropanoic acid
PubChem CID170909956
Molecular FormulaC9H14F2O3
Molecular Weight208.20 g/mol
Exact Mass208.09
IUPAC Name2-(2,2-difluoro-1-hydroxycyclopentyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1(O)CCCC1(F)F
InChIInChI=1S/C9H14F2O3/c1-7(2,6(12)13)8(14)4-3-5-9(8,10)11/h14H,3-5H2,1-2H3,(H,12,13)
InChIKeySNMPMWXGMWXHFH-UHFFFAOYSA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-1-(trifluoromethyl)cyclopentan-1-ol
CID 59440477
2-(1-hydroxycyclopropyl)-2-methylpropanoic acid
CID 84762839
2-(1-hydroxycyclododecyl)-2-methylpropanoic acid
CID 12574141
1-(2-fluoropropan-2-yl)cyclobutane-1-carboxylic acid
CID 83815694
2-(1-hydroxy-3-methylcyclohexyl)-2-methylpropanoic acid
CID 62397063
2-(1-hydroxy-4-methylcycloheptyl)-2-methylpropanoic acid
CID 65084607
8-tert-butylspiro[3.4]octan-8-ol
CID 130933727
2-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropanoic acid
CID 13083372
1-(1-hydroxycyclobutyl)-2,2-dimethylpropan-1-one
CID 118667718
2,2-difluoro-2-(1-hydroxycyclopentyl)acetic acid
CID 45098570
1-(2,2-dimethylpropanoyl)cyclopentane-1-carboxylic acid
CID 170443189
1-(1,1-difluoroethyl)cyclopentane-1-carboxylic acid
CID 84767538

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-1-hydroxycyclopentyl)-2-methylpropanoic acid?
The IUPAC name of 2-(2,2-difluoro-1-hydroxycyclopentyl)-2-methylpropanoic acid (CID 170909956) is 2-(2,2-difluoro-1-hydroxycyclopentyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2,2-difluoro-1-hydroxycyclopentyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(2,2-difluoro-1-hydroxycyclopentyl)-2-methylpropanoic acid is CC(C)(C(=O)O)C1(O)CCCC1(F)F.
What is the InChIKey of 2-(2,2-difluoro-1-hydroxycyclopentyl)-2-methylpropanoic acid?
The InChIKey is SNMPMWXGMWXHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O3/c1-7(2,6(12)13)8(14)4-3-5-9(8,10)11/h14H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-(2,2-difluoro-1-hydroxycyclopentyl)-2-methylpropanoic acid?
2-(2,2-difluoro-1-hydroxycyclopentyl)-2-methylpropanoic acid has a molecular weight of 208.20 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-1-hydroxycyclopentyl)-2-methylpropanoic acid is sourced from PubChem (CID 170909956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).