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

C21H25F2NO — CID 129247601

IUPAC4-(dibenzylamino)-1-(difluoromethyl)cyclohexan-1-ol
SMILESOC1(C(F)F)CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C21H25F2NO/c22-20(23)21(25)13-11-19(12-14-21)24(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,19-20,25H,11-16H2
InChIKeyJBECKQHLUWPANR-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.63
Rot. Bonds6

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

4-(dibenzylamino)-1-(difluoromethyl)cyclohexan-1-ol (PubChem CID 129247601) has the molecular formula C21H25F2NO and a molecular weight of 345.43 g/mol. Its IUPAC name is 4-(dibenzylamino)-1-(difluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(dibenzylamino)-1-(difluoromethyl)cyclohexan-1-ol
PubChem CID129247601
Molecular FormulaC21H25F2NO
Molecular Weight345.43 g/mol
Exact Mass345.19
IUPAC Name4-(dibenzylamino)-1-(difluoromethyl)cyclohexan-1-ol
SMILESOC1(C(F)F)CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C21H25F2NO/c22-20(23)21(25)13-11-19(12-14-21)24(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,19-20,25H,11-16H2
InChIKeyJBECKQHLUWPANR-UHFFFAOYSA-N
XLogP4.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dibenzylamino)-1-(difluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-(dibenzylamino)-1-(difluoromethyl)cyclohexan-1-ol (CID 129247601) is 4-(dibenzylamino)-1-(difluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(dibenzylamino)-1-(difluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(dibenzylamino)-1-(difluoromethyl)cyclohexan-1-ol is OC1(C(F)F)CCC(N(Cc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of 4-(dibenzylamino)-1-(difluoromethyl)cyclohexan-1-ol?
The InChIKey is JBECKQHLUWPANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2NO/c22-20(23)21(25)13-11-19(12-14-21)24(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,19-20,25H,11-16H2.
What are the key properties of 4-(dibenzylamino)-1-(difluoromethyl)cyclohexan-1-ol?
4-(dibenzylamino)-1-(difluoromethyl)cyclohexan-1-ol has a molecular weight of 345.43 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibenzylamino)-1-(difluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 129247601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).