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

C8H12F2O3 — CID 62396273

IUPAC2,2-difluoro-2-(1-hydroxycyclohexyl)acetic acid
SMILESO=C(O)C(F)(F)C1(O)CCCCC1
InChIInChI=1S/C8H12F2O3/c9-8(10,6(11)12)7(13)4-2-1-3-5-7/h13H,1-5H2,(H,11,12)
InChIKeyCJCOBYDZAQJLGO-UHFFFAOYSA-N
MW194.18 g/mol
LogP1.40
Rot. Bonds2

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

2,2-difluoro-2-(1-hydroxycyclohexyl)acetic acid (PubChem CID 62396273) has the molecular formula C8H12F2O3 and a molecular weight of 194.18 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-hydroxycyclohexyl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(1-hydroxycyclohexyl)acetic acid
PubChem CID62396273
Molecular FormulaC8H12F2O3
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name2,2-difluoro-2-(1-hydroxycyclohexyl)acetic acid
SMILESO=C(O)C(F)(F)C1(O)CCCCC1
InChIInChI=1S/C8H12F2O3/c9-8(10,6(11)12)7(13)4-2-1-3-5-7/h13H,1-5H2,(H,11,12)
InChIKeyCJCOBYDZAQJLGO-UHFFFAOYSA-N
XLogP1.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-hydroxycyclohexyl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(1-hydroxycyclohexyl)acetic acid (CID 62396273) is 2,2-difluoro-2-(1-hydroxycyclohexyl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(1-hydroxycyclohexyl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(1-hydroxycyclohexyl)acetic acid is O=C(O)C(F)(F)C1(O)CCCCC1.
What is the InChIKey of 2,2-difluoro-2-(1-hydroxycyclohexyl)acetic acid?
The InChIKey is CJCOBYDZAQJLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O3/c9-8(10,6(11)12)7(13)4-2-1-3-5-7/h13H,1-5H2,(H,11,12).
What are the key properties of 2,2-difluoro-2-(1-hydroxycyclohexyl)acetic acid?
2,2-difluoro-2-(1-hydroxycyclohexyl)acetic acid has a molecular weight of 194.18 g/mol, XLogP of 1.40, 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-hydroxycyclohexyl)acetic acid is sourced from PubChem (CID 62396273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).