7-bicyclo[4.1.0]heptanyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol

C16H19F3O — CID 102759206

IUPAC7-bicyclo[4.1.0]heptanyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)C1C2CCCCC21
InChIInChI=1S/C16H19F3O/c1-9-8-10(16(17,18)19)6-7-11(9)15(20)14-12-4-2-3-5-13(12)14/h6-8,12-15,20H,2-5H2,1H3
InChIKeyVJBDAMLWSGLUEV-UHFFFAOYSA-N
MW284.32 g/mol
LogP4.48
Rot. Bonds2

About 7-bicyclo[4.1.0]heptanyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol

7-bicyclo[4.1.0]heptanyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol (PubChem CID 102759206) has the molecular formula C16H19F3O and a molecular weight of 284.32 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol
PubChem CID102759206
Molecular FormulaC16H19F3O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name7-bicyclo[4.1.0]heptanyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)C1C2CCCCC21
InChIInChI=1S/C16H19F3O/c1-9-8-10(16(17,18)19)6-7-11(9)15(20)14-12-4-2-3-5-13(12)14/h6-8,12-15,20H,2-5H2,1H3
InChIKeyVJBDAMLWSGLUEV-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751758
[2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol
CID 106634718
cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754830
cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753522
N-[6-bicyclo[3.1.0]hexanyl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102758124
6-bicyclo[3.1.0]hexanyl-(2,4,5-trimethylphenyl)methanol
CID 115806982
1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753668
(3,5-dimethylcyclohex-3-en-1-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 103277723
(1S,2R)-2-amino-1-cyclohexyl-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethanol
CID 171263233
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
3-cyclopentyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine
CID 102757776
2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 103517278

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol (CID 102759206) is 7-bicyclo[4.1.0]heptanyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol is Cc1cc(C(F)(F)F)ccc1C(O)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is VJBDAMLWSGLUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3O/c1-9-8-10(16(17,18)19)6-7-11(9)15(20)14-12-4-2-3-5-13(12)14/h6-8,12-15,20H,2-5H2,1H3.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
7-bicyclo[4.1.0]heptanyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 284.32 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 102759206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).