2-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanoic acid

C9H13F3O3 — CID 12060170

IUPAC2-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanoic acid
SMILESO=C(O)C(O)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H13F3O3/c10-9(11,12)8(15,7(13)14)6-4-2-1-3-5-6/h6,15H,1-5H2,(H,13,14)
InChIKeyWNXJNXZOYHFFFN-UHFFFAOYSA-N
MW226.19 g/mol
LogP1.94
Rot. Bonds2

About 2-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanoic acid

2-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanoic acid (PubChem CID 12060170) has the molecular formula C9H13F3O3 and a molecular weight of 226.19 g/mol. Its IUPAC name is 2-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanoic acid.

Molecular Properties

Compound Name2-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanoic acid
PubChem CID12060170
Molecular FormulaC9H13F3O3
Molecular Weight226.19 g/mol
Exact Mass226.08
IUPAC Name2-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanoic acid
SMILESO=C(O)C(O)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H13F3O3/c10-9(11,12)8(15,7(13)14)6-4-2-1-3-5-6/h6,15H,1-5H2,(H,13,14)
InChIKeyWNXJNXZOYHFFFN-UHFFFAOYSA-N
XLogP1.94
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Dicyclohexylglycolic acid
CID 95863
2-(4,4-Difluorocyclohexyl)propanoic acid
CID 21016272
rac-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 25324710
rac-(1R,2R)-2-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 25324716
4,4-Difluoro-1-hydroxycyclohexane-1-carboxylic acid
CID 40151970
2-(4-(Trifluoromethyl)cyclohexyl)acetic acid
CID 53414873
1-Hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64756952
3-(4,4-Difluorocyclohexyl)-2-oxopropanoic acid
CID 165861060
Fluorohydroxycyclohexanecarboxylic
CID 129860723
2-Hydroxy-2-trifluoromethyloctanoic acid
CID 102599968
cis-(1R,2S)-2-(difluoromethyl)cyclohexane-1-carboxylic acid
CID 176437837
2-Cyclohexyl-2-hydroxypropanoic acid
CID 13045943

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanoic acid?
The IUPAC name of 2-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanoic acid (CID 12060170) is 2-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanoic acid.
What is the SMILES notation for 2-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanoic acid?
The canonical SMILES for 2-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanoic acid is O=C(O)C(O)(C1CCCCC1)C(F)(F)F.
What is the InChIKey of 2-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanoic acid?
The InChIKey is WNXJNXZOYHFFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O3/c10-9(11,12)8(15,7(13)14)6-4-2-1-3-5-6/h6,15H,1-5H2,(H,13,14).
What are the key properties of 2-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanoic acid?
2-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanoic acid has a molecular weight of 226.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanoic acid is sourced from PubChem (CID 12060170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).