(1R,2S,4S)-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol

C8H11F3O — CID 101087831

IUPAC(1R,2S,4S)-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
SMILESO[C@@]1(C(F)(F)F)C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C8H11F3O/c9-8(10,11)7(12)4-5-1-2-6(7)3-5/h5-6,12H,1-4H2/t5-,6+,7-/m0/s1
InChIKeyKQYCGMBEIDNWKA-XVMARJQXSA-N
MW180.17 g/mol
LogP2.10
Rot. Bonds

About (1R,2S,4S)-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol

(1R,2S,4S)-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 101087831) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is (1R,2S,4S)-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2S,4S)-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
PubChem CID101087831
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name(1R,2S,4S)-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
SMILESO[C@@]1(C(F)(F)F)C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C8H11F3O/c9-8(10,11)7(12)4-5-1-2-6(7)3-5/h5-6,12H,1-4H2/t5-,6+,7-/m0/s1
InChIKeyKQYCGMBEIDNWKA-XVMARJQXSA-N
XLogP2.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2S,4S)-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol (CID 101087831) is (1R,2S,4S)-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2S,4S)-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2S,4S)-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol is O[C@@]1(C(F)(F)F)C[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2S,4S)-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is KQYCGMBEIDNWKA-XVMARJQXSA-N. The full InChI is InChI=1S/C8H11F3O/c9-8(10,11)7(12)4-5-1-2-6(7)3-5/h5-6,12H,1-4H2/t5-,6+,7-/m0/s1.
What are the key properties of (1R,2S,4S)-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol?
(1R,2S,4S)-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 180.17 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S)-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 101087831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).