(6S)-2-(trifluoromethyl)-1,1a,6,6a-tetrahydrocyclopropa[b]inden-6-ol

C11H9F3O — CID 175391484

IUPAC(6S)-2-(trifluoromethyl)-1,1a,6,6a-tetrahydrocyclopropa[b]inden-6-ol
SMILESO[C@@H]1c2cccc(C(F)(F)F)c2C2CC21
InChIInChI=1S/C11H9F3O/c12-11(13,14)8-3-1-2-5-9(8)6-4-7(6)10(5)15/h1-3,6-7,10,15H,4H2/t6?,7?,10-/m1/s1
InChIKeyWUOMWTOGKVPWFK-HNQUHTCLSA-N
MW214.19 g/mol
LogP2.86
Rot. Bonds

About (6S)-2-(trifluoromethyl)-1,1a,6,6a-tetrahydrocyclopropa[b]inden-6-ol

(6S)-2-(trifluoromethyl)-1,1a,6,6a-tetrahydrocyclopropa[b]inden-6-ol (PubChem CID 175391484) has the molecular formula C11H9F3O and a molecular weight of 214.19 g/mol. Its IUPAC name is (6S)-2-(trifluoromethyl)-1,1a,6,6a-tetrahydrocyclopropa[b]inden-6-ol.

Molecular Properties

Compound Name(6S)-2-(trifluoromethyl)-1,1a,6,6a-tetrahydrocyclopropa[b]inden-6-ol
PubChem CID175391484
Molecular FormulaC11H9F3O
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name(6S)-2-(trifluoromethyl)-1,1a,6,6a-tetrahydrocyclopropa[b]inden-6-ol
SMILESO[C@@H]1c2cccc(C(F)(F)F)c2C2CC21
InChIInChI=1S/C11H9F3O/c12-11(13,14)8-3-1-2-5-9(8)6-4-7(6)10(5)15/h1-3,6-7,10,15H,4H2/t6?,7?,10-/m1/s1
InChIKeyWUOMWTOGKVPWFK-HNQUHTCLSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Fluoren-9-ol
CID 74318
(+-)-Acenaphthenol
CID 22750
1-Fluorenemethanol
CID 52307
2-Methyl-9-(trifluoromethyl)fluoren-9-ol
CID 59493168
4-Methyl-9-(trifluoromethyl)fluoren-9-ol
CID 59493210
9-(Trifluoromethyl)-9H-fluoren-9-ol
CID 2760747
2-[4-(Hydroxymethyl)phenyl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492892
2,4-Dimethyl-9-(trifluoromethyl)fluoren-9-ol
CID 59493040
7-methyl-2,3-dihydro-1H-inden-1-ol
CID 23082867
(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol
CID 102085537
(1S)-5-fluoro-2,3-dihydro-1H-inden-1-ol
CID 47003503
(1S)-4-Methylindan-1-ol
CID 11615192

Frequently Asked Questions

What is the IUPAC name of (6S)-2-(trifluoromethyl)-1,1a,6,6a-tetrahydrocyclopropa[b]inden-6-ol?
The IUPAC name of (6S)-2-(trifluoromethyl)-1,1a,6,6a-tetrahydrocyclopropa[b]inden-6-ol (CID 175391484) is (6S)-2-(trifluoromethyl)-1,1a,6,6a-tetrahydrocyclopropa[b]inden-6-ol.
What is the SMILES notation for (6S)-2-(trifluoromethyl)-1,1a,6,6a-tetrahydrocyclopropa[b]inden-6-ol?
The canonical SMILES for (6S)-2-(trifluoromethyl)-1,1a,6,6a-tetrahydrocyclopropa[b]inden-6-ol is O[C@@H]1c2cccc(C(F)(F)F)c2C2CC21.
What is the InChIKey of (6S)-2-(trifluoromethyl)-1,1a,6,6a-tetrahydrocyclopropa[b]inden-6-ol?
The InChIKey is WUOMWTOGKVPWFK-HNQUHTCLSA-N. The full InChI is InChI=1S/C11H9F3O/c12-11(13,14)8-3-1-2-5-9(8)6-4-7(6)10(5)15/h1-3,6-7,10,15H,4H2/t6?,7?,10-/m1/s1.
What are the key properties of (6S)-2-(trifluoromethyl)-1,1a,6,6a-tetrahydrocyclopropa[b]inden-6-ol?
(6S)-2-(trifluoromethyl)-1,1a,6,6a-tetrahydrocyclopropa[b]inden-6-ol has a molecular weight of 214.19 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(trifluoromethyl)-1,1a,6,6a-tetrahydrocyclopropa[b]inden-6-ol is sourced from PubChem (CID 175391484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).