3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol

C8H9F5O — CID 18439566

IUPAC3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
SMILESOC1(C(F)(F)F)C2CCC(C2)C1(F)F
InChIInChI=1S/C8H9F5O/c9-7(10)5-2-1-4(3-5)6(7,14)8(11,12)13/h4-5,14H,1-3H2
InChIKeyREKPNZLEPBFDRK-UHFFFAOYSA-N
MW216.15 g/mol
LogP2.35
Rot. Bonds

About 3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol

3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 18439566) has the molecular formula C8H9F5O and a molecular weight of 216.15 g/mol. Its IUPAC name is 3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
PubChem CID18439566
Molecular FormulaC8H9F5O
Molecular Weight216.15 g/mol
Exact Mass216.06
IUPAC Name3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
SMILESOC1(C(F)(F)F)C2CCC(C2)C1(F)F
InChIInChI=1S/C8H9F5O/c9-7(10)5-2-1-4(3-5)6(7,14)8(11,12)13/h4-5,14H,1-3H2
InChIKeyREKPNZLEPBFDRK-UHFFFAOYSA-N
XLogP2.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.15
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol (CID 18439566) is 3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol is OC1(C(F)(F)F)C2CCC(C2)C1(F)F.
What is the InChIKey of 3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is REKPNZLEPBFDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F5O/c9-7(10)5-2-1-4(3-5)6(7,14)8(11,12)13/h4-5,14H,1-3H2.
What are the key properties of 3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol?
3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 216.15 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 18439566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).