cyclobutyl-[3-(trifluoromethyl)phenyl]methanol

C12H13F3O — CID 64986539

IUPACcyclobutyl-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cccc(C(F)(F)F)c1)C1CCC1
InChIInChI=1S/C12H13F3O/c13-12(14,15)10-6-2-5-9(7-10)11(16)8-3-1-4-8/h2,5-8,11,16H,1,3-4H2
InChIKeyFJQWHJOBXWVYPT-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.54
Rot. Bonds2

About cyclobutyl-[3-(trifluoromethyl)phenyl]methanol

cyclobutyl-[3-(trifluoromethyl)phenyl]methanol (PubChem CID 64986539) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is cyclobutyl-[3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Namecyclobutyl-[3-(trifluoromethyl)phenyl]methanol
PubChem CID64986539
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Namecyclobutyl-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cccc(C(F)(F)F)c1)C1CCC1
InChIInChI=1S/C12H13F3O/c13-12(14,15)10-6-2-5-9(7-10)11(16)8-3-1-4-8/h2,5-8,11,16H,1,3-4H2
InChIKeyFJQWHJOBXWVYPT-UHFFFAOYSA-N
XLogP3.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

piperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol
CID 11392289
(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206809
1,4-dioxaspiro[4.5]decan-8-yl-[3-(trifluoromethyl)phenyl]methanol
CID 19436901
cyclobutyl-[4-(trifluoromethyl)phenyl]methanol
CID 64986363
piperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol
CID 23467209
[cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193958
(3-aminophenyl)-cyclobutylmethanol
CID 105437114
(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 112756156
cyclooctyl-[4-(trifluoromethyl)phenyl]methanol
CID 80603410
cyclopentyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351164
2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]cyclohexan-1-ol
CID 62358371
cyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751758

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of cyclobutyl-[3-(trifluoromethyl)phenyl]methanol (CID 64986539) is cyclobutyl-[3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for cyclobutyl-[3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for cyclobutyl-[3-(trifluoromethyl)phenyl]methanol is OC(c1cccc(C(F)(F)F)c1)C1CCC1.
What is the InChIKey of cyclobutyl-[3-(trifluoromethyl)phenyl]methanol?
The InChIKey is FJQWHJOBXWVYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c13-12(14,15)10-6-2-5-9(7-10)11(16)8-3-1-4-8/h2,5-8,11,16H,1,3-4H2.
What are the key properties of cyclobutyl-[3-(trifluoromethyl)phenyl]methanol?
cyclobutyl-[3-(trifluoromethyl)phenyl]methanol has a molecular weight of 230.23 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 64986539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).