4-(dibenzylamino)-1-(trifluoromethyl)cyclohexan-1-ol

C21H24F3NO — CID 71552447

IUPAC4-(dibenzylamino)-1-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(C(F)(F)F)CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C21H24F3NO/c22-21(23,24)20(26)13-11-19(12-14-20)25(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,19,26H,11-16H2
InChIKeyMRXIUCPKTBGKKG-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.92
Rot. Bonds5

About 4-(dibenzylamino)-1-(trifluoromethyl)cyclohexan-1-ol

4-(dibenzylamino)-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 71552447) has the molecular formula C21H24F3NO and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-(dibenzylamino)-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(dibenzylamino)-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID71552447
Molecular FormulaC21H24F3NO
Molecular Weight363.42 g/mol
Exact Mass363.18
IUPAC Name4-(dibenzylamino)-1-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(C(F)(F)F)CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C21H24F3NO/c22-21(23,24)20(26)13-11-19(12-14-20)25(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,19,26H,11-16H2
InChIKeyMRXIUCPKTBGKKG-UHFFFAOYSA-N
XLogP4.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dibenzylamino)-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-(dibenzylamino)-1-(trifluoromethyl)cyclohexan-1-ol (CID 71552447) is 4-(dibenzylamino)-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(dibenzylamino)-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(dibenzylamino)-1-(trifluoromethyl)cyclohexan-1-ol is OC1(C(F)(F)F)CCC(N(Cc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of 4-(dibenzylamino)-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is MRXIUCPKTBGKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO/c22-21(23,24)20(26)13-11-19(12-14-20)25(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,19,26H,11-16H2.
What are the key properties of 4-(dibenzylamino)-1-(trifluoromethyl)cyclohexan-1-ol?
4-(dibenzylamino)-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 363.42 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibenzylamino)-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 71552447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).