1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol

C17H24F3NO — CID 19823734

IUPAC1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol
SMILESCCC(O)C(N(C)C)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C17H24F3NO/c1-4-14(22)15(21(2)3)16(9-6-10-16)12-7-5-8-13(11-12)17(18,19)20/h5,7-8,11,14-15,22H,4,6,9-10H2,1-3H3
InChIKeyIEFCOTKEPDFFKD-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.83
Rot. Bonds5

About 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol

1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol (PubChem CID 19823734) has the molecular formula C17H24F3NO and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol
PubChem CID19823734
Molecular FormulaC17H24F3NO
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol
SMILESCCC(O)C(N(C)C)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C17H24F3NO/c1-4-14(22)15(21(2)3)16(9-6-10-16)12-7-5-8-13(11-12)17(18,19)20/h5,7-8,11,14-15,22H,4,6,9-10H2,1-3H3
InChIKeyIEFCOTKEPDFFKD-UHFFFAOYSA-N
XLogP3.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol?
The IUPAC name of 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol (CID 19823734) is 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol?
The canonical SMILES for 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol is CCC(O)C(N(C)C)C1(c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol?
The InChIKey is IEFCOTKEPDFFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO/c1-4-14(22)15(21(2)3)16(9-6-10-16)12-7-5-8-13(11-12)17(18,19)20/h5,7-8,11,14-15,22H,4,6,9-10H2,1-3H3.
What are the key properties of 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol?
1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol has a molecular weight of 315.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol is sourced from PubChem (CID 19823734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).