8-(trifluoromethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol

C12H13F3O — CID 91417977

IUPAC8-(trifluoromethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol
SMILESOC1(C(F)(F)F)C2C3CC4C5C3CC2C5C41
InChIInChI=1S/C12H13F3O/c13-12(14,15)11(16)9-4-2-5-7-3(4)1-6(9)8(7)10(5)11/h3-10,16H,1-2H2
InChIKeyPNGADBIMSNAMIA-UHFFFAOYSA-N
MW230.23 g/mol
LogP2.06
Rot. Bonds

About 8-(trifluoromethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol

8-(trifluoromethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol (PubChem CID 91417977) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 8-(trifluoromethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol.

Molecular Properties

Compound Name8-(trifluoromethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol
PubChem CID91417977
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name8-(trifluoromethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol
SMILESOC1(C(F)(F)F)C2C3CC4C5C3CC2C5C41
InChIInChI=1S/C12H13F3O/c13-12(14,15)11(16)9-4-2-5-7-3(4)1-6(9)8(7)10(5)11/h3-10,16H,1-2H2
InChIKeyPNGADBIMSNAMIA-UHFFFAOYSA-N
XLogP2.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8-(trifluoromethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol with MolForge

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Related Compounds

Pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol
CID 12457565
2-(Trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
CID 14388171
6-Fluorotricyclo[5.2.1.02,6]decan-2-ol
CID 13446687
Exo-8-(trifluoromethyl)pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecan-endo-8-ol
CID 139059581
3,3-Difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
CID 18439566
5,6-Dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
CID 20593712
9,10-Dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 21301228
2,3,3,4,4,5,5,6-Octafluoro-8-methyltricyclo[5.2.1.02,6]decan-8-ol
CID 22088757
4,5,5-Trifluorotetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 57558652
(5R)-3,3-difluoro-5-methyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
CID 57560453
(5R)-5-methyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
CID 57560456
3,3-Difluoro-5,6-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
CID 57793477

Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol?
The IUPAC name of 8-(trifluoromethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol (CID 91417977) is 8-(trifluoromethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol.
What is the SMILES notation for 8-(trifluoromethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol?
The canonical SMILES for 8-(trifluoromethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol is OC1(C(F)(F)F)C2C3CC4C5C3CC2C5C41.
What is the InChIKey of 8-(trifluoromethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol?
The InChIKey is PNGADBIMSNAMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c13-12(14,15)11(16)9-4-2-5-7-3(4)1-6(9)8(7)10(5)11/h3-10,16H,1-2H2.
What are the key properties of 8-(trifluoromethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol?
8-(trifluoromethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol has a molecular weight of 230.23 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol is sourced from PubChem (CID 91417977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).