1,1,1-trifluoro-2-methyl-3-[2-(4-methylcyclohexyl)propan-2-yloxy]propan-2-ol

C14H25F3O2 — CID 129119232

IUPAC1,1,1-trifluoro-2-methyl-3-[2-(4-methylcyclohexyl)propan-2-yloxy]propan-2-ol
SMILESCC1CCC(C(C)(C)OCC(C)(O)C(F)(F)F)CC1
InChIInChI=1S/C14H25F3O2/c1-10-5-7-11(8-6-10)12(2,3)19-9-13(4,18)14(15,16)17/h10-11,18H,5-9H2,1-4H3
InChIKeyOUYUDBYXFOJOOQ-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.92
Rot. Bonds4

About 1,1,1-trifluoro-2-methyl-3-[2-(4-methylcyclohexyl)propan-2-yloxy]propan-2-ol

1,1,1-trifluoro-2-methyl-3-[2-(4-methylcyclohexyl)propan-2-yloxy]propan-2-ol (PubChem CID 129119232) has the molecular formula C14H25F3O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methyl-3-[2-(4-methylcyclohexyl)propan-2-yloxy]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methyl-3-[2-(4-methylcyclohexyl)propan-2-yloxy]propan-2-ol
PubChem CID129119232
Molecular FormulaC14H25F3O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name1,1,1-trifluoro-2-methyl-3-[2-(4-methylcyclohexyl)propan-2-yloxy]propan-2-ol
SMILESCC1CCC(C(C)(C)OCC(C)(O)C(F)(F)F)CC1
InChIInChI=1S/C14H25F3O2/c1-10-5-7-11(8-6-10)12(2,3)19-9-13(4,18)14(15,16)17/h10-11,18H,5-9H2,1-4H3
InChIKeyOUYUDBYXFOJOOQ-UHFFFAOYSA-N
XLogP3.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methyl-3-[2-(4-methylcyclohexyl)propan-2-yloxy]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-methyl-3-[2-(4-methylcyclohexyl)propan-2-yloxy]propan-2-ol (CID 129119232) is 1,1,1-trifluoro-2-methyl-3-[2-(4-methylcyclohexyl)propan-2-yloxy]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-methyl-3-[2-(4-methylcyclohexyl)propan-2-yloxy]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-methyl-3-[2-(4-methylcyclohexyl)propan-2-yloxy]propan-2-ol is CC1CCC(C(C)(C)OCC(C)(O)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1-trifluoro-2-methyl-3-[2-(4-methylcyclohexyl)propan-2-yloxy]propan-2-ol?
The InChIKey is OUYUDBYXFOJOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3O2/c1-10-5-7-11(8-6-10)12(2,3)19-9-13(4,18)14(15,16)17/h10-11,18H,5-9H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-2-methyl-3-[2-(4-methylcyclohexyl)propan-2-yloxy]propan-2-ol?
1,1,1-trifluoro-2-methyl-3-[2-(4-methylcyclohexyl)propan-2-yloxy]propan-2-ol has a molecular weight of 282.35 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-methyl-3-[2-(4-methylcyclohexyl)propan-2-yloxy]propan-2-ol is sourced from PubChem (CID 129119232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).