cyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol

C13H15F3O — CID 102751758

IUPACcyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)C1CCC1
InChIInChI=1S/C13H15F3O/c1-8-7-10(13(14,15)16)5-6-11(8)12(17)9-3-2-4-9/h5-7,9,12,17H,2-4H2,1H3
InChIKeySJAPFEYVLGDJGM-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.85
Rot. Bonds2

About cyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol

cyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol (PubChem CID 102751758) has the molecular formula C13H15F3O and a molecular weight of 244.26 g/mol. Its IUPAC name is cyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Namecyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol
PubChem CID102751758
Molecular FormulaC13H15F3O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Namecyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)C1CCC1
InChIInChI=1S/C13H15F3O/c1-8-7-10(13(14,15)16)5-6-11(8)12(17)9-3-2-4-9/h5-7,9,12,17H,2-4H2,1H3
InChIKeySJAPFEYVLGDJGM-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-bicyclo[4.1.0]heptanyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102759206
cyclobutyl-(4-fluoro-2-methylphenyl)methanol
CID 64987002
[2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol
CID 106634718
cyclopentyl-(4-fluoro-2-methylphenyl)methanol
CID 62789449
[2,4-bis(trifluoromethyl)phenyl]-cyclopropylmethanol
CID 139965713
(3,5-dimethylcyclohex-3-en-1-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 103277723
cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753522
cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754830
cycloheptyl-(2,4-dimethylphenyl)methanol
CID 55199424
cyclobutyl-[4-(trifluoromethyl)phenyl]methanol
CID 64986363
1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753668
cyclobutyl-[3-(trifluoromethyl)phenyl]methanol
CID 64986539

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of cyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol (CID 102751758) is cyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for cyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for cyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol is Cc1cc(C(F)(F)F)ccc1C(O)C1CCC1.
What is the InChIKey of cyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is SJAPFEYVLGDJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O/c1-8-7-10(13(14,15)16)5-6-11(8)12(17)9-3-2-4-9/h5-7,9,12,17H,2-4H2,1H3.
What are the key properties of cyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
cyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 244.26 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 102751758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).