cyclohexyl-[(3R)-3-(trifluoromethyl)oxan-4-yl]methanol

C13H21F3O2 — CID 173123240

IUPACcyclohexyl-[(3R)-3-(trifluoromethyl)oxan-4-yl]methanol
SMILESOC(C1CCCCC1)C1CCOC[C@@H]1C(F)(F)F
InChIInChI=1S/C13H21F3O2/c14-13(15,16)11-8-18-7-6-10(11)12(17)9-4-2-1-3-5-9/h9-12,17H,1-8H2/t10?,11-,12?/m0/s1
InChIKeyIKQOCCUANBOGMM-CXQJBGSLSA-N
MW266.30 g/mol
LogP3.14
Rot. Bonds2

About cyclohexyl-[(3R)-3-(trifluoromethyl)oxan-4-yl]methanol

cyclohexyl-[(3R)-3-(trifluoromethyl)oxan-4-yl]methanol (PubChem CID 173123240) has the molecular formula C13H21F3O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is cyclohexyl-[(3R)-3-(trifluoromethyl)oxan-4-yl]methanol.

Molecular Properties

Compound Namecyclohexyl-[(3R)-3-(trifluoromethyl)oxan-4-yl]methanol
PubChem CID173123240
Molecular FormulaC13H21F3O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Namecyclohexyl-[(3R)-3-(trifluoromethyl)oxan-4-yl]methanol
SMILESOC(C1CCCCC1)C1CCOC[C@@H]1C(F)(F)F
InChIInChI=1S/C13H21F3O2/c14-13(15,16)11-8-18-7-6-10(11)12(17)9-4-2-1-3-5-9/h9-12,17H,1-8H2/t10?,11-,12?/m0/s1
InChIKeyIKQOCCUANBOGMM-CXQJBGSLSA-N
XLogP3.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-(5,6-difluoro-3,4-dimethyloxan-2-yl)propane-1,2-diol
CID 68103568
3-(5,6-Difluoro-3,4,6-trimethyloxan-2-yl)propan-1-ol
CID 68112163
3-Fluoro-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexan-1-ol
CID 70976868
(1S)-1-[(1R)-4-(4-ethoxycyclohexyl)-2,3-difluorocyclohexyl]ethanol
CID 90437092
2,3-Difluoro-4-(3-fluoro-4-methoxycyclohexyl)cyclohexan-1-ol
CID 118181744
2,3-Difluoro-4-(2-fluoro-4-methoxycyclohexyl)cyclohexan-1-ol
CID 118554566
4-[(4-Cyclohexylcyclohexyl)-difluoromethoxy]-2,3-difluorocyclohexan-1-ol
CID 130390489
(2S,3S,4R)-2-[(1R)-1-(2-cyclohexylethoxy)-2,2,2-trifluoroethyl]oxane-3,4-diol
CID 132058972
2,2-difluoro-3-[(2R,5S)-5-methyloxan-2-yl]propan-1-ol
CID 134353030
3-Fluoro-5-(3-fluoro-5-hydroxycyclohexyl)cyclohexan-1-ol
CID 139950139
4-[4-(4-Fluorobutoxy)cyclohexyl]cyclohexan-1-ol
CID 140253189
4-[4-(3-Fluoropropoxy)cyclohexyl]cyclohexan-1-ol
CID 140253196

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(3R)-3-(trifluoromethyl)oxan-4-yl]methanol?
The IUPAC name of cyclohexyl-[(3R)-3-(trifluoromethyl)oxan-4-yl]methanol (CID 173123240) is cyclohexyl-[(3R)-3-(trifluoromethyl)oxan-4-yl]methanol.
What is the SMILES notation for cyclohexyl-[(3R)-3-(trifluoromethyl)oxan-4-yl]methanol?
The canonical SMILES for cyclohexyl-[(3R)-3-(trifluoromethyl)oxan-4-yl]methanol is OC(C1CCCCC1)C1CCOC[C@@H]1C(F)(F)F.
What is the InChIKey of cyclohexyl-[(3R)-3-(trifluoromethyl)oxan-4-yl]methanol?
The InChIKey is IKQOCCUANBOGMM-CXQJBGSLSA-N. The full InChI is InChI=1S/C13H21F3O2/c14-13(15,16)11-8-18-7-6-10(11)12(17)9-4-2-1-3-5-9/h9-12,17H,1-8H2/t10?,11-,12?/m0/s1.
What are the key properties of cyclohexyl-[(3R)-3-(trifluoromethyl)oxan-4-yl]methanol?
cyclohexyl-[(3R)-3-(trifluoromethyl)oxan-4-yl]methanol has a molecular weight of 266.30 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(3R)-3-(trifluoromethyl)oxan-4-yl]methanol is sourced from PubChem (CID 173123240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).