cyclobutyl-(2,3,4-trifluorophenyl)methanol

C11H11F3O — CID 64986364

IUPACcyclobutyl-(2,3,4-trifluorophenyl)methanol
SMILESOC(c1ccc(F)c(F)c1F)C1CCC1
InChIInChI=1S/C11H11F3O/c12-8-5-4-7(9(13)10(8)14)11(15)6-2-1-3-6/h4-6,11,15H,1-3H2
InChIKeyKQFDNRLSSVSFDK-UHFFFAOYSA-N
MW216.20 g/mol
LogP2.94
Rot. Bonds2

About cyclobutyl-(2,3,4-trifluorophenyl)methanol

cyclobutyl-(2,3,4-trifluorophenyl)methanol (PubChem CID 64986364) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is cyclobutyl-(2,3,4-trifluorophenyl)methanol.

Molecular Properties

Compound Namecyclobutyl-(2,3,4-trifluorophenyl)methanol
PubChem CID64986364
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Namecyclobutyl-(2,3,4-trifluorophenyl)methanol
SMILESOC(c1ccc(F)c(F)c1F)C1CCC1
InChIInChI=1S/C11H11F3O/c12-8-5-4-7(9(13)10(8)14)11(15)6-2-1-3-6/h4-6,11,15H,1-3H2
InChIKeyKQFDNRLSSVSFDK-UHFFFAOYSA-N
XLogP2.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-propan-2-ylcyclohexyl)-(2,3,4-trifluorophenyl)methanol
CID 65425286
oxan-4-yl-(2,3,4-trifluorophenyl)methanol
CID 63902199
cyclopentyl-(2,3-difluorophenyl)methanol
CID 63894572
oxolan-3-yl-(2,3,4-trifluorophenyl)methanol
CID 63893972
cyclobutyl-(2-fluoro-4-methylphenyl)methanol
CID 115837888
cycloheptyl-(2,3,4-trifluorophenyl)methanamine
CID 65399083
(R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
CID 171205794
cycloheptyl-(2,5-difluorophenyl)methanol
CID 55091243
cyclopentyl-(2-fluoro-3-methylphenyl)methanol
CID 115840644
(R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol
CID 96691275
(R)-cycloheptyl-(2,5-difluorophenyl)methanol
CID 94502433
3-cyclopentyl-1-(2,3,4-trifluorophenyl)propan-1-ol
CID 115797110

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2,3,4-trifluorophenyl)methanol?
The IUPAC name of cyclobutyl-(2,3,4-trifluorophenyl)methanol (CID 64986364) is cyclobutyl-(2,3,4-trifluorophenyl)methanol.
What is the SMILES notation for cyclobutyl-(2,3,4-trifluorophenyl)methanol?
The canonical SMILES for cyclobutyl-(2,3,4-trifluorophenyl)methanol is OC(c1ccc(F)c(F)c1F)C1CCC1.
What is the InChIKey of cyclobutyl-(2,3,4-trifluorophenyl)methanol?
The InChIKey is KQFDNRLSSVSFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O/c12-8-5-4-7(9(13)10(8)14)11(15)6-2-1-3-6/h4-6,11,15H,1-3H2.
What are the key properties of cyclobutyl-(2,3,4-trifluorophenyl)methanol?
cyclobutyl-(2,3,4-trifluorophenyl)methanol has a molecular weight of 216.20 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2,3,4-trifluorophenyl)methanol is sourced from PubChem (CID 64986364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).