1,1,1-trifluoro-2-[3-(1-methylcyclopropyl)phenyl]propan-2-ol

C13H15F3O — CID 162620604

IUPAC1,1,1-trifluoro-2-[3-(1-methylcyclopropyl)phenyl]propan-2-ol
SMILESCC1(c2cccc(C(C)(O)C(F)(F)F)c2)CC1
InChIInChI=1S/C13H15F3O/c1-11(6-7-11)9-4-3-5-10(8-9)12(2,17)13(14,15)16/h3-5,8,17H,6-7H2,1-2H3
InChIKeyIQTBCPAAZHHHMI-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.51
Rot. Bonds2

About 1,1,1-trifluoro-2-[3-(1-methylcyclopropyl)phenyl]propan-2-ol

1,1,1-trifluoro-2-[3-(1-methylcyclopropyl)phenyl]propan-2-ol (PubChem CID 162620604) has the molecular formula C13H15F3O and a molecular weight of 244.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[3-(1-methylcyclopropyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[3-(1-methylcyclopropyl)phenyl]propan-2-ol
PubChem CID162620604
Molecular FormulaC13H15F3O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name1,1,1-trifluoro-2-[3-(1-methylcyclopropyl)phenyl]propan-2-ol
SMILESCC1(c2cccc(C(C)(O)C(F)(F)F)c2)CC1
InChIInChI=1S/C13H15F3O/c1-11(6-7-11)9-4-3-5-10(8-9)12(2,17)13(14,15)16/h3-5,8,17H,6-7H2,1-2H3
InChIKeyIQTBCPAAZHHHMI-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[3-(1-methylcyclopropyl)phenyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[3-(1-methylcyclopropyl)phenyl]propan-2-ol (CID 162620604) is 1,1,1-trifluoro-2-[3-(1-methylcyclopropyl)phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[3-(1-methylcyclopropyl)phenyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[3-(1-methylcyclopropyl)phenyl]propan-2-ol is CC1(c2cccc(C(C)(O)C(F)(F)F)c2)CC1.
What is the InChIKey of 1,1,1-trifluoro-2-[3-(1-methylcyclopropyl)phenyl]propan-2-ol?
The InChIKey is IQTBCPAAZHHHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O/c1-11(6-7-11)9-4-3-5-10(8-9)12(2,17)13(14,15)16/h3-5,8,17H,6-7H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-[3-(1-methylcyclopropyl)phenyl]propan-2-ol?
1,1,1-trifluoro-2-[3-(1-methylcyclopropyl)phenyl]propan-2-ol has a molecular weight of 244.26 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[3-(1-methylcyclopropyl)phenyl]propan-2-ol is sourced from PubChem (CID 162620604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).