[(2-methylcyclobutylidene)amino]-[2-(trifluoromethyl)phenyl]methanol

C13H14F3NO — CID 123533829

IUPAC[(2-methylcyclobutylidene)amino]-[2-(trifluoromethyl)phenyl]methanol
SMILESCC1CCC1=NC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3NO/c1-8-6-7-11(8)17-12(18)9-4-2-3-5-10(9)13(14,15)16/h2-5,8,12,18H,6-7H2,1H3
InChIKeyBQAFLUIKDUNWHB-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.57
Rot. Bonds2

About [(2-methylcyclobutylidene)amino]-[2-(trifluoromethyl)phenyl]methanol

[(2-methylcyclobutylidene)amino]-[2-(trifluoromethyl)phenyl]methanol (PubChem CID 123533829) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is [(2-methylcyclobutylidene)amino]-[2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[(2-methylcyclobutylidene)amino]-[2-(trifluoromethyl)phenyl]methanol
PubChem CID123533829
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name[(2-methylcyclobutylidene)amino]-[2-(trifluoromethyl)phenyl]methanol
SMILESCC1CCC1=NC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3NO/c1-8-6-7-11(8)17-12(18)9-4-2-3-5-10(9)13(14,15)16/h2-5,8,12,18H,6-7H2,1H3
InChIKeyBQAFLUIKDUNWHB-UHFFFAOYSA-N
XLogP3.57
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2-methylcyclobutylidene)amino]-[2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [(2-methylcyclobutylidene)amino]-[2-(trifluoromethyl)phenyl]methanol (CID 123533829) is [(2-methylcyclobutylidene)amino]-[2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [(2-methylcyclobutylidene)amino]-[2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [(2-methylcyclobutylidene)amino]-[2-(trifluoromethyl)phenyl]methanol is CC1CCC1=NC(O)c1ccccc1C(F)(F)F.
What is the InChIKey of [(2-methylcyclobutylidene)amino]-[2-(trifluoromethyl)phenyl]methanol?
The InChIKey is BQAFLUIKDUNWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-8-6-7-11(8)17-12(18)9-4-2-3-5-10(9)13(14,15)16/h2-5,8,12,18H,6-7H2,1H3.
What are the key properties of [(2-methylcyclobutylidene)amino]-[2-(trifluoromethyl)phenyl]methanol?
[(2-methylcyclobutylidene)amino]-[2-(trifluoromethyl)phenyl]methanol has a molecular weight of 257.25 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methylcyclobutylidene)amino]-[2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 123533829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).