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

C14H25F3O2 — CID 62739187

IUPAC4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CCCOCC(F)(F)F)C1
InChIInChI=1S/C14H25F3O2/c1-10(2)11-5-6-13(18)12(8-11)4-3-7-19-9-14(15,16)17/h10-13,18H,3-9H2,1-2H3
InChIKeyMVWCEFNCUMTDCT-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.78
Rot. Bonds6

About 4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol

4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol (PubChem CID 62739187) has the molecular formula C14H25F3O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol
PubChem CID62739187
Molecular FormulaC14H25F3O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CCCOCC(F)(F)F)C1
InChIInChI=1S/C14H25F3O2/c1-10(2)11-5-6-13(18)12(8-11)4-3-7-19-9-14(15,16)17/h10-13,18H,3-9H2,1-2H3
InChIKeyMVWCEFNCUMTDCT-UHFFFAOYSA-N
XLogP3.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.78
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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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol?
The IUPAC name of 4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol (CID 62739187) is 4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol.
What is the SMILES notation for 4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol?
The canonical SMILES for 4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol is CC(C)C1CCC(O)C(CCCOCC(F)(F)F)C1.
What is the InChIKey of 4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol?
The InChIKey is MVWCEFNCUMTDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3O2/c1-10(2)11-5-6-13(18)12(8-11)4-3-7-19-9-14(15,16)17/h10-13,18H,3-9H2,1-2H3.
What are the key properties of 4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol?
4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol has a molecular weight of 282.35 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-ol is sourced from PubChem (CID 62739187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).