1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol

C10H9F9O — CID 20743872

IUPAC1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol
SMILESOC(C(F)(F)F)(C(F)(F)F)C1(F)C2CCC(C2)C1(F)F
InChIInChI=1S/C10H9F9O/c11-6(4-1-2-5(3-4)7(6,12)13)8(20,9(14,15)16)10(17,18)19/h4-5,20H,1-3H2
InChIKeyFTLDGOYMAMPEAZ-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.62
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol (PubChem CID 20743872) has the molecular formula C10H9F9O and a molecular weight of 316.16 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol
PubChem CID20743872
Molecular FormulaC10H9F9O
Molecular Weight316.16 g/mol
Exact Mass316.05
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol
SMILESOC(C(F)(F)F)(C(F)(F)F)C1(F)C2CCC(C2)C1(F)F
InChIInChI=1S/C10H9F9O/c11-6(4-1-2-5(3-4)7(6,12)13)8(20,9(14,15)16)10(17,18)19/h4-5,20H,1-3H2
InChIKeyFTLDGOYMAMPEAZ-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol (CID 20743872) is 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol is OC(C(F)(F)F)(C(F)(F)F)C1(F)C2CCC(C2)C1(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The InChIKey is FTLDGOYMAMPEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F9O/c11-6(4-1-2-5(3-4)7(6,12)13)8(20,9(14,15)16)10(17,18)19/h4-5,20H,1-3H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol has a molecular weight of 316.16 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol is sourced from PubChem (CID 20743872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).