6-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol

C12H11F3O — CID 74034714

IUPAC6-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol
SMILESOC1CC2CC1c1c2cccc1C(F)(F)F
InChIInChI=1S/C12H11F3O/c13-12(14,15)9-3-1-2-7-6-4-8(11(7)9)10(16)5-6/h1-3,6,8,10,16H,4-5H2
InChIKeyWFAYVLIAUWOEES-UHFFFAOYSA-N
MW228.21 g/mol
LogP3.04
Rot. Bonds

About 6-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol

6-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol (PubChem CID 74034714) has the molecular formula C12H11F3O and a molecular weight of 228.21 g/mol. Its IUPAC name is 6-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol.

Molecular Properties

Compound Name6-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol
PubChem CID74034714
Molecular FormulaC12H11F3O
Molecular Weight228.21 g/mol
Exact Mass228.08
IUPAC Name6-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol
SMILESOC1CC2CC1c1c2cccc1C(F)(F)F
InChIInChI=1S/C12H11F3O/c13-12(14,15)9-3-1-2-7-6-4-8(11(7)9)10(16)5-6/h1-3,6,8,10,16H,4-5H2
InChIKeyWFAYVLIAUWOEES-UHFFFAOYSA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-4-(Trifluoromethyl)indan-1-ol
CID 67058205
(1R)-4-(Trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 71299622
9(R(S))-Hydroxy-1,2,3,4-tetrahydro-1,4-methanonaphthalen-2(R(S))-yl sulfate (8)
CID 129012252
9(R(S))-Hydroxy-1,2,3,4-tetrahydro-1,4-methanonaphthalen-2(R(S))-diol (9)
CID 129012253
(11-Hydroxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) nitrate
CID 45272169
[(9R,11R)-11-hydroxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] nitrate
CID 46888470
1,4-Methanonaphthalen-9-ol, 1,2,3,4-tetrahydro-, stereoisomer
CID 136935
1,4-Methanonaphthalene, 2,3-epoxy-1,2,3,4-tetrahydro-, exo-2,3-
CID 582272
5-Phenylbicyclo(2.2.1)heptan-2-ol
CID 130124993
(1R,2S)-1-(1,1-difluoroprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 11579465
(1R,2S)-2-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 102459172
Spiro(tricyclo[6.2.1.0(2,7)]undeca-2,4,6-triene)-7,1'-cyclopropane
CID 588429

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol?
The IUPAC name of 6-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol (CID 74034714) is 6-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol.
What is the SMILES notation for 6-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol?
The canonical SMILES for 6-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol is OC1CC2CC1c1c2cccc1C(F)(F)F.
What is the InChIKey of 6-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol?
The InChIKey is WFAYVLIAUWOEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O/c13-12(14,15)9-3-1-2-7-6-4-8(11(7)9)10(16)5-6/h1-3,6,8,10,16H,4-5H2.
What are the key properties of 6-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol?
6-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol has a molecular weight of 228.21 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol is sourced from PubChem (CID 74034714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).