cyclobutyl-[4-(trifluoromethyl)phenyl]methanol

C12H13F3O — CID 64986363

IUPACcyclobutyl-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)C1CCC1
InChIInChI=1S/C12H13F3O/c13-12(14,15)10-6-4-9(5-7-10)11(16)8-2-1-3-8/h4-8,11,16H,1-3H2
InChIKeyHNPYTUMAIDAXRZ-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.54
Rot. Bonds2

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

cyclobutyl-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 64986363) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is cyclobutyl-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Namecyclobutyl-[4-(trifluoromethyl)phenyl]methanol
PubChem CID64986363
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Namecyclobutyl-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)C1CCC1
InChIInChI=1S/C12H13F3O/c13-12(14,15)10-6-4-9(5-7-10)11(16)8-2-1-3-8/h4-8,11,16H,1-3H2
InChIKeyHNPYTUMAIDAXRZ-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

cyclooctyl-[4-(trifluoromethyl)phenyl]methanol
CID 80603410
cyclobutyl-[3-(trifluoromethyl)phenyl]methanol
CID 64986539
(1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 171160385
cyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751758
(2R)-2-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]cyclopentan-1-one
CID 102316755
cyclohexyl-[4-(difluoromethyl)phenyl]methanol
CID 115524882
(1S)-2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 67344023
2-(cyclobutylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60901206
cyclopentyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351164
(R)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
CID 171211545
cyclobutyl-(4-cyclopropyloxyphenyl)methanol
CID 114518671
[4-bromo-3-(trifluoromethyl)phenyl]-cyclopentylmethanol
CID 115840545

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of cyclobutyl-[4-(trifluoromethyl)phenyl]methanol (CID 64986363) is cyclobutyl-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for cyclobutyl-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for cyclobutyl-[4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(C(F)(F)F)cc1)C1CCC1.
What is the InChIKey of cyclobutyl-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is HNPYTUMAIDAXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c13-12(14,15)10-6-4-9(5-7-10)11(16)8-2-1-3-8/h4-8,11,16H,1-3H2.
What are the key properties of cyclobutyl-[4-(trifluoromethyl)phenyl]methanol?
cyclobutyl-[4-(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-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 64986363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).