1,1,1-trifluoro-3-(1-methylcyclohexyl)oxypropan-2-ol

C10H17F3O2 — CID 102048642

IUPAC1,1,1-trifluoro-3-(1-methylcyclohexyl)oxypropan-2-ol
SMILESCC1(OCC(O)C(F)(F)F)CCCCC1
InChIInChI=1S/C10H17F3O2/c1-9(5-3-2-4-6-9)15-7-8(14)10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyBCRWMZCHJGPWLH-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.65
Rot. Bonds3

About 1,1,1-trifluoro-3-(1-methylcyclohexyl)oxypropan-2-ol

1,1,1-trifluoro-3-(1-methylcyclohexyl)oxypropan-2-ol (PubChem CID 102048642) has the molecular formula C10H17F3O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(1-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(1-methylcyclohexyl)oxypropan-2-ol
PubChem CID102048642
Molecular FormulaC10H17F3O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name1,1,1-trifluoro-3-(1-methylcyclohexyl)oxypropan-2-ol
SMILESCC1(OCC(O)C(F)(F)F)CCCCC1
InChIInChI=1S/C10H17F3O2/c1-9(5-3-2-4-6-9)15-7-8(14)10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyBCRWMZCHJGPWLH-UHFFFAOYSA-N
XLogP2.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.65
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-3-(1-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(1-methylcyclohexyl)oxypropan-2-ol (CID 102048642) is 1,1,1-trifluoro-3-(1-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(1-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(1-methylcyclohexyl)oxypropan-2-ol is CC1(OCC(O)C(F)(F)F)CCCCC1.
What is the InChIKey of 1,1,1-trifluoro-3-(1-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is BCRWMZCHJGPWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O2/c1-9(5-3-2-4-6-9)15-7-8(14)10(11,12)13/h8,14H,2-7H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(1-methylcyclohexyl)oxypropan-2-ol?
1,1,1-trifluoro-3-(1-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 226.24 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(1-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 102048642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).