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

C12H11F3O — CID 74034713

IUPAC3-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol
SMILESOC1CC2CC1c1cccc(C(F)(F)F)c12
InChIInChI=1S/C12H11F3O/c13-12(14,15)9-3-1-2-7-8-4-6(11(7)9)5-10(8)16/h1-3,6,8,10,16H,4-5H2
InChIKeyIUGVTFSAVJMDIW-UHFFFAOYSA-N
MW228.21 g/mol
LogP3.04
Rot. Bonds

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

3-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol (PubChem CID 74034713) has the molecular formula C12H11F3O and a molecular weight of 228.21 g/mol. Its IUPAC name is 3-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol.

Molecular Properties

Compound Name3-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol
PubChem CID74034713
Molecular FormulaC12H11F3O
Molecular Weight228.21 g/mol
Exact Mass228.08
IUPAC Name3-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol
SMILESOC1CC2CC1c1cccc(C(F)(F)F)c12
InChIInChI=1S/C12H11F3O/c13-12(14,15)9-3-1-2-7-8-4-6(11(7)9)5-10(8)16/h1-3,6,8,10,16H,4-5H2
InChIKeyIUGVTFSAVJMDIW-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

(6S)-2-(trifluoromethyl)-1,1a,6,6a-tetrahydrocyclopropa[b]inden-6-ol
CID 175391484
1-(trifluoromethyl)-9,10-dihydroanthracene-9,10-diol
CID 151562848
3-[2,6-bis(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 154791421
1-cyclopropyl-2,3-bis(trifluoromethyl)benzene
CID 175858113
1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene
CID 130539881
(1S,4R)-4-[2-(trifluoromethyl)phenyl]cyclopent-2-en-1-ol
CID 122393737
2-(oxan-4-yl)-3-(trifluoromethyl)phenol
CID 117104332
7-(trifluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline
CID 105466528
(1S)-1-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]ethanol
CID 28912537
(3aS,6aS)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 140698565
(3aR,6aR)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 130365993
[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 44572757

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol?
The IUPAC name of 3-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol (CID 74034713) is 3-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol.
What is the SMILES notation for 3-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol?
The canonical SMILES for 3-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol is OC1CC2CC1c1cccc(C(F)(F)F)c12.
What is the InChIKey of 3-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol?
The InChIKey is IUGVTFSAVJMDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O/c13-12(14,15)9-3-1-2-7-8-4-6(11(7)9)5-10(8)16/h1-3,6,8,10,16H,4-5H2.
What are the key properties of 3-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol?
3-(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 3-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol is sourced from PubChem (CID 74034713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).