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

C7H10F2O3 — CID 45098570

IUPAC2,2-difluoro-2-(1-hydroxycyclopentyl)acetic acid
SMILESO=C(O)C(F)(F)C1(O)CCCC1
InChIInChI=1S/C7H10F2O3/c8-7(9,5(10)11)6(12)3-1-2-4-6/h12H,1-4H2,(H,10,11)
InChIKeyBJPRDLSLGRZMSC-UHFFFAOYSA-N
MW180.15 g/mol
LogP1.01
Rot. Bonds2

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

2,2-difluoro-2-(1-hydroxycyclopentyl)acetic acid (PubChem CID 45098570) has the molecular formula C7H10F2O3 and a molecular weight of 180.15 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-hydroxycyclopentyl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(1-hydroxycyclopentyl)acetic acid
PubChem CID45098570
Molecular FormulaC7H10F2O3
Molecular Weight180.15 g/mol
Exact Mass180.06
IUPAC Name2,2-difluoro-2-(1-hydroxycyclopentyl)acetic acid
SMILESO=C(O)C(F)(F)C1(O)CCCC1
InChIInChI=1S/C7H10F2O3/c8-7(9,5(10)11)6(12)3-1-2-4-6/h12H,1-4H2,(H,10,11)
InChIKeyBJPRDLSLGRZMSC-UHFFFAOYSA-N
XLogP1.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.15
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-2-(1-hydroxy-4-propan-2-ylcycloheptyl)acetic acid
CID 65090679
1,1,1,3,3-pentafluoro-3-(1-hydroxycyclohexyl)propan-2-one
CID 58995471
methyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate
CID 131065671
1-(trifluoromethyl)cyclopentan-1-ol
CID 23506080
2-(1-hydroxycyclododecyl)-2-methylpropanoic acid
CID 12574141
spiro[2.5]octane;2,2,2-trifluoroacetic acid
CID 68898433
ethyl 2,2-difluoro-2-(1-hydroxycyclobutyl)acetate
CID 62396584
2-[1-[(4-chlorothiophen-2-yl)methyl]-4-hydroxyazepan-4-yl]-2,2-difluoroacetic acid
CID 139016654
1-(aminomethyl)cyclopentan-1-ol;2,2,2-trifluoroacetic acid
CID 72698248
1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride
CID 153410019
1-[bromo(difluoro)methyl]cyclobutan-1-ol
CID 107140237
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]acetamide
CID 75436732

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-hydroxycyclopentyl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(1-hydroxycyclopentyl)acetic acid (CID 45098570) is 2,2-difluoro-2-(1-hydroxycyclopentyl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(1-hydroxycyclopentyl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(1-hydroxycyclopentyl)acetic acid is O=C(O)C(F)(F)C1(O)CCCC1.
What is the InChIKey of 2,2-difluoro-2-(1-hydroxycyclopentyl)acetic acid?
The InChIKey is BJPRDLSLGRZMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O3/c8-7(9,5(10)11)6(12)3-1-2-4-6/h12H,1-4H2,(H,10,11).
What are the key properties of 2,2-difluoro-2-(1-hydroxycyclopentyl)acetic acid?
2,2-difluoro-2-(1-hydroxycyclopentyl)acetic acid has a molecular weight of 180.15 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-hydroxycyclopentyl)acetic acid is sourced from PubChem (CID 45098570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).