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

C13H15FO — CID 637738

IUPAC(1S,2S,4R)-2-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-ol
SMILESO[C@@]1(c2ccc(F)cc2)C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C13H15FO/c14-12-5-3-10(4-6-12)13(15)8-9-1-2-11(13)7-9/h3-6,9,11,15H,1-2,7-8H2/t9-,11+,13-/m1/s1
InChIKeyFOVSWUKJXLUKBY-SUZMYJTESA-N
MW206.26 g/mol
LogP2.83
Rot. Bonds1

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

(1S,2S,4R)-2-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 637738) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is (1S,2S,4R)-2-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2S,4R)-2-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-ol
PubChem CID637738
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name(1S,2S,4R)-2-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-ol
SMILESO[C@@]1(c2ccc(F)cc2)C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C13H15FO/c14-12-5-3-10(4-6-12)13(15)8-9-1-2-11(13)7-9/h3-6,9,11,15H,1-2,7-8H2/t9-,11+,13-/m1/s1
InChIKeyFOVSWUKJXLUKBY-SUZMYJTESA-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 ≤ 500206.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Fluoro-9-(trifluoromethyl)fluoren-9-ol
CID 59492489
2-Fluoro-9-(trifluoromethyl)fluoren-9-ol
CID 59492925
4-Methyl-9-(trifluoromethyl)fluoren-9-ol
CID 59493210
9-(Trifluoromethyl)-9H-fluoren-9-ol
CID 2760747
2-Phenylbicyclo[2.2.1]heptan-2-ol
CID 417191
3-Fluoro-9-(trifluoromethyl)fluoren-9-ol
CID 59493123
9-(4-Fluorophenyl)-9h-fluoren-9-ol
CID 277377
(8S)-11,11-difluoro-8-phenylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol
CID 2729686
11,11-Difluoro-8-phenylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol
CID 4359993
9-(3-Fluorophenyl)fluoren-9-ol
CID 21677309
9-(2-fluorophenyl)-9H-fluoren-9-ol
CID 22117522
9-(Difluoromethyl)fluoren-9-ol
CID 134964992

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-2-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2S,4R)-2-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-ol (CID 637738) is (1S,2S,4R)-2-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2S,4R)-2-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2S,4R)-2-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-ol is O[C@@]1(c2ccc(F)cc2)C[C@@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2S,4R)-2-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is FOVSWUKJXLUKBY-SUZMYJTESA-N. The full InChI is InChI=1S/C13H15FO/c14-12-5-3-10(4-6-12)13(15)8-9-1-2-11(13)7-9/h3-6,9,11,15H,1-2,7-8H2/t9-,11+,13-/m1/s1.
What are the key properties of (1S,2S,4R)-2-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-ol?
(1S,2S,4R)-2-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 206.26 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 (1S,2S,4R)-2-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 637738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).