3-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol

C11H19F3O2 — CID 64516522

IUPAC3-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol
SMILESOC1CCCC(CCCOCC(F)(F)F)C1
InChIInChI=1S/C11H19F3O2/c12-11(13,14)8-16-6-2-4-9-3-1-5-10(15)7-9/h9-10,15H,1-8H2
InChIKeyWOZIJIDAZKZUEO-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.90
Rot. Bonds5

About 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol

3-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol (PubChem CID 64516522) has the molecular formula C11H19F3O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol
PubChem CID64516522
Molecular FormulaC11H19F3O2
Molecular Weight240.26 g/mol
Exact Mass240.13
IUPAC Name3-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol
SMILESOC1CCCC(CCCOCC(F)(F)F)C1
InChIInChI=1S/C11H19F3O2/c12-11(13,14)8-16-6-2-4-9-3-1-5-10(15)7-9/h9-10,15H,1-8H2
InChIKeyWOZIJIDAZKZUEO-UHFFFAOYSA-N
XLogP2.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohexyl-2,2,2-trifluoroethan-1-ol
CID 10943092
(1s)-1-Cyclohexyl-2,2,2-trifluoroethan-1-ol
CID 11008557
(1R)-1-cyclohexyl-2,2,2-trifluoroethan-1-ol
CID 12636128
3-Cyclohexyl-1,1,1-trifluoropropan-2-ol
CID 11389967
1-Cyclohexyl-2,2-difluoroethan-1-ol
CID 11008259
2-(4,4-Difluorocyclohexyl)-2-methoxyethan-1-ol
CID 155819703
1-Cyclohexyl-3,3,3-trifluoropropan-1-ol
CID 61392853
(1S)-1-(4,4-difluorocyclohexyl)-2-methylpropan-1-ol
CID 57580303
(1R)-1-(4,4-difluorocyclohexyl)-2-methylpropan-1-ol
CID 57580352
1-Cyclohexyl-2,2,4,4,4-pentafluorobutane-1,3-diol
CID 58995550
4-Cyclohexyl-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)butan-2-ol
CID 59752404
2,2,2-Trifluoro-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexyl]ethanol
CID 59850747

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol?
The IUPAC name of 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol (CID 64516522) is 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol?
The canonical SMILES for 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol is OC1CCCC(CCCOCC(F)(F)F)C1.
What is the InChIKey of 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol?
The InChIKey is WOZIJIDAZKZUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O2/c12-11(13,14)8-16-6-2-4-9-3-1-5-10(15)7-9/h9-10,15H,1-8H2.
What are the key properties of 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol?
3-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol has a molecular weight of 240.26 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol is sourced from PubChem (CID 64516522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).