1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol;hydrochloride

C18H27ClF3NO — CID 19823644

IUPAC1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol;hydrochloride
SMILESCCCC(O)C(N(C)C)C1(c2cccc(C(F)(F)F)c2)CCC1.Cl
InChIInChI=1S/C18H26F3NO.ClH/c1-4-7-15(23)16(22(2)3)17(10-6-11-17)13-8-5-9-14(12-13)18(19,20)21;/h5,8-9,12,15-16,23H,4,6-7,10-11H2,1-3H3;1H
InChIKeyAFACKEDLXMDUBG-UHFFFAOYSA-N
MW365.87 g/mol
LogP4.64
Rot. Bonds6

About 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol;hydrochloride

1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol;hydrochloride (PubChem CID 19823644) has the molecular formula C18H27ClF3NO and a molecular weight of 365.87 g/mol. Its IUPAC name is 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol;hydrochloride
PubChem CID19823644
Molecular FormulaC18H27ClF3NO
Molecular Weight365.87 g/mol
Exact Mass365.17
IUPAC Name1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol;hydrochloride
SMILESCCCC(O)C(N(C)C)C1(c2cccc(C(F)(F)F)c2)CCC1.Cl
InChIInChI=1S/C18H26F3NO.ClH/c1-4-7-15(23)16(22(2)3)17(10-6-11-17)13-8-5-9-14(12-13)18(19,20)21;/h5,8-9,12,15-16,23H,4,6-7,10-11H2,1-3H3;1H
InChIKeyAFACKEDLXMDUBG-UHFFFAOYSA-N
XLogP4.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 54.64
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]pentan-2-ol;hydrochloride?
The IUPAC name of 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol;hydrochloride (CID 19823644) is 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol;hydrochloride.
What is the SMILES notation for 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol;hydrochloride?
The canonical SMILES for 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol;hydrochloride is CCCC(O)C(N(C)C)C1(c2cccc(C(F)(F)F)c2)CCC1.Cl.
What is the InChIKey of 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol;hydrochloride?
The InChIKey is AFACKEDLXMDUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3NO.ClH/c1-4-7-15(23)16(22(2)3)17(10-6-11-17)13-8-5-9-14(12-13)18(19,20)21;/h5,8-9,12,15-16,23H,4,6-7,10-11H2,1-3H3;1H.
What are the key properties of 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol;hydrochloride?
1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol;hydrochloride has a molecular weight of 365.87 g/mol, XLogP of 4.64, 6 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]pentan-2-ol;hydrochloride is sourced from PubChem (CID 19823644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).