2-[(1-cyclohexyl-2,2,2-trifluoroethoxy)methyl]-1,1,1-trifluorobutan-2-ol

C13H20F6O2 — CID 58952845

IUPAC2-[(1-cyclohexyl-2,2,2-trifluoroethoxy)methyl]-1,1,1-trifluorobutan-2-ol
SMILESCCC(O)(COC(C1CCCCC1)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H20F6O2/c1-2-11(20,13(17,18)19)8-21-10(12(14,15)16)9-6-4-3-5-7-9/h9-10,20H,2-8H2,1H3
InChIKeyPYUYYCTWDKLZDP-UHFFFAOYSA-N
MW322.29 g/mol
LogP4.22
Rot. Bonds5

About 2-[(1-cyclohexyl-2,2,2-trifluoroethoxy)methyl]-1,1,1-trifluorobutan-2-ol

2-[(1-cyclohexyl-2,2,2-trifluoroethoxy)methyl]-1,1,1-trifluorobutan-2-ol (PubChem CID 58952845) has the molecular formula C13H20F6O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is 2-[(1-cyclohexyl-2,2,2-trifluoroethoxy)methyl]-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name2-[(1-cyclohexyl-2,2,2-trifluoroethoxy)methyl]-1,1,1-trifluorobutan-2-ol
PubChem CID58952845
Molecular FormulaC13H20F6O2
Molecular Weight322.29 g/mol
Exact Mass322.14
IUPAC Name2-[(1-cyclohexyl-2,2,2-trifluoroethoxy)methyl]-1,1,1-trifluorobutan-2-ol
SMILESCCC(O)(COC(C1CCCCC1)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H20F6O2/c1-2-11(20,13(17,18)19)8-21-10(12(14,15)16)9-6-4-3-5-7-9/h9-10,20H,2-8H2,1H3
InChIKeyPYUYYCTWDKLZDP-UHFFFAOYSA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(1-cyclohexyl-2,2,2-trifluoroethoxy)methyl]-1,1,1-trifluorobutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2R,3R)-3-(trifluoromethyl)oxiran-2-yl]nonan-5-ol
CID 15743166
2-(4,4-Difluorocyclohexyl)-2-methoxyethan-1-ol
CID 155819703
4,4-Difluoro-1-(methoxymethyl)cyclohexan-1-ol
CID 155821926
(4,4-Difluoro-1-methoxycyclohexyl)methanol
CID 155822587
1,1,1-Trifluoro-3-(1-methylcyclohexyl)oxypropan-2-ol
CID 102048642
2-[4-[2-(2-Butan-2-yloxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20743875
1-(2-Cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxybutan-2-ol
CID 58969670
4-Cyclohexyl-4-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
CID 59602147
1,1,1,3,3,3-Hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1-trifluoro-2-methylbutan-2-yl)oxyethoxy]propan-2-yl]cyclohexyl]propan-2-ol
CID 59676489
[1-Cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl] propanoate
CID 59705881
[1-Cyclohexyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl] propanoate
CID 59705884
[1-Cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl] butanoate
CID 59705894

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexyl-2,2,2-trifluoroethoxy)methyl]-1,1,1-trifluorobutan-2-ol?
The IUPAC name of 2-[(1-cyclohexyl-2,2,2-trifluoroethoxy)methyl]-1,1,1-trifluorobutan-2-ol (CID 58952845) is 2-[(1-cyclohexyl-2,2,2-trifluoroethoxy)methyl]-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for 2-[(1-cyclohexyl-2,2,2-trifluoroethoxy)methyl]-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for 2-[(1-cyclohexyl-2,2,2-trifluoroethoxy)methyl]-1,1,1-trifluorobutan-2-ol is CCC(O)(COC(C1CCCCC1)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[(1-cyclohexyl-2,2,2-trifluoroethoxy)methyl]-1,1,1-trifluorobutan-2-ol?
The InChIKey is PYUYYCTWDKLZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F6O2/c1-2-11(20,13(17,18)19)8-21-10(12(14,15)16)9-6-4-3-5-7-9/h9-10,20H,2-8H2,1H3.
What are the key properties of 2-[(1-cyclohexyl-2,2,2-trifluoroethoxy)methyl]-1,1,1-trifluorobutan-2-ol?
2-[(1-cyclohexyl-2,2,2-trifluoroethoxy)methyl]-1,1,1-trifluorobutan-2-ol has a molecular weight of 322.29 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexyl-2,2,2-trifluoroethoxy)methyl]-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 58952845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).