3-cyclopentyl-2,2-difluoro-3-hydroxypropanoic acid

C8H12F2O3 — CID 62397462

IUPAC3-cyclopentyl-2,2-difluoro-3-hydroxypropanoic acid
SMILESO=C(O)C(F)(F)C(O)C1CCCC1
InChIInChI=1S/C8H12F2O3/c9-8(10,7(12)13)6(11)5-3-1-2-4-5/h5-6,11H,1-4H2,(H,12,13)
InChIKeyRWZQPELZPZXWJV-UHFFFAOYSA-N
MW194.18 g/mol
LogP1.26
Rot. Bonds3

About 3-cyclopentyl-2,2-difluoro-3-hydroxypropanoic acid

3-cyclopentyl-2,2-difluoro-3-hydroxypropanoic acid (PubChem CID 62397462) has the molecular formula C8H12F2O3 and a molecular weight of 194.18 g/mol. Its IUPAC name is 3-cyclopentyl-2,2-difluoro-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-cyclopentyl-2,2-difluoro-3-hydroxypropanoic acid
PubChem CID62397462
Molecular FormulaC8H12F2O3
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name3-cyclopentyl-2,2-difluoro-3-hydroxypropanoic acid
SMILESO=C(O)C(F)(F)C(O)C1CCCC1
InChIInChI=1S/C8H12F2O3/c9-8(10,7(12)13)6(11)5-3-1-2-4-5/h5-6,11H,1-4H2,(H,12,13)
InChIKeyRWZQPELZPZXWJV-UHFFFAOYSA-N
XLogP1.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate
CID 11052834
2,2-Difluoro-2-(1-hydroxycyclopentyl)acetic acid
CID 45098570
Ethyl 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate
CID 10944426
(3S,4S)-3-hydroxy-4-methyloctanoic acid
CID 70788967
3-Hydroxy-4-methyloctanoic acid
CID 18408232
2,2-Difluoro-2-(1-methoxycyclopentyl)acetic acid
CID 137935321
2,2-Difluoro-3-hydroxyoctanoic acid
CID 62397052
(2S)-2-[(2S,5R)-5-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]oxolan-2-yl]propanoic acid
CID 101549940
(2S)-2-[(S)-cyclohexyl(hydroxy)methyl]-3,3,3-trifluoropropanoic acid
CID 122373140
4-(4-Fluorocyclohexyl)-3-hydroxybutanoic acid
CID 22564575
2,2-Difluoro-3-hydroxy-6-methylheptanoic acid
CID 53694129
(2R,3R)-6,6,6-trifluoro-3-hydroxy-2-(2-methylpropyl)hexanoic acid
CID 54379950

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2,2-difluoro-3-hydroxypropanoic acid?
The IUPAC name of 3-cyclopentyl-2,2-difluoro-3-hydroxypropanoic acid (CID 62397462) is 3-cyclopentyl-2,2-difluoro-3-hydroxypropanoic acid.
What is the SMILES notation for 3-cyclopentyl-2,2-difluoro-3-hydroxypropanoic acid?
The canonical SMILES for 3-cyclopentyl-2,2-difluoro-3-hydroxypropanoic acid is O=C(O)C(F)(F)C(O)C1CCCC1.
What is the InChIKey of 3-cyclopentyl-2,2-difluoro-3-hydroxypropanoic acid?
The InChIKey is RWZQPELZPZXWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O3/c9-8(10,7(12)13)6(11)5-3-1-2-4-5/h5-6,11H,1-4H2,(H,12,13).
What are the key properties of 3-cyclopentyl-2,2-difluoro-3-hydroxypropanoic acid?
3-cyclopentyl-2,2-difluoro-3-hydroxypropanoic acid has a molecular weight of 194.18 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2,2-difluoro-3-hydroxypropanoic acid is sourced from PubChem (CID 62397462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).