1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol

C10H14F4O — CID 58165688

IUPAC1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol
SMILESCC(O)(C(F)(F)F)C1(F)CC2CCC1C2
InChIInChI=1S/C10H14F4O/c1-8(15,10(12,13)14)9(11)5-6-2-3-7(9)4-6/h6-7,15H,2-5H2,1H3
InChIKeyWGQLZDFJQWEGKP-UHFFFAOYSA-N
MW226.21 g/mol
LogP2.83
Rot. Bonds1

About 1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol

1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol (PubChem CID 58165688) has the molecular formula C10H14F4O and a molecular weight of 226.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol
PubChem CID58165688
Molecular FormulaC10H14F4O
Molecular Weight226.21 g/mol
Exact Mass226.10
IUPAC Name1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol
SMILESCC(O)(C(F)(F)F)C1(F)CC2CCC1C2
InChIInChI=1S/C10H14F4O/c1-8(15,10(12,13)14)9(11)5-6-2-3-7(9)4-6/h6-7,15H,2-5H2,1H3
InChIKeyWGQLZDFJQWEGKP-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 52.83
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-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol (CID 58165688) is 1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol is CC(O)(C(F)(F)F)C1(F)CC2CCC1C2.
What is the InChIKey of 1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The InChIKey is WGQLZDFJQWEGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4O/c1-8(15,10(12,13)14)9(11)5-6-2-3-7(9)4-6/h6-7,15H,2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol has a molecular weight of 226.21 g/mol, XLogP of 2.83, 1 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-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol is sourced from PubChem (CID 58165688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).