(2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol

C17H18F3NO — CID 1488046

IUPAC(2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol
SMILESO[C@H](CN(Cc1ccccc1)Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C17H18F3NO/c18-17(19,20)16(22)13-21(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,16,22H,11-13H2/t16-/m1/s1
InChIKeyWMHVXNPTZAJEOB-MRXNPFEDSA-N
MW309.33 g/mol
LogP3.61
Rot. Bonds6

About (2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol

(2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 1488046) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is (2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID1488046
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name(2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol
SMILESO[C@H](CN(Cc1ccccc1)Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C17H18F3NO/c18-17(19,20)16(22)13-21(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,16,22H,11-13H2/t16-/m1/s1
InChIKeyWMHVXNPTZAJEOB-MRXNPFEDSA-N
XLogP3.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3787794
1-Benzylpiperidin-4-ol
CID 78461
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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol (CID 1488046) is (2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol is O[C@H](CN(Cc1ccccc1)Cc1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is WMHVXNPTZAJEOB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18F3NO/c18-17(19,20)16(22)13-21(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,16,22H,11-13H2/t16-/m1/s1.
What are the key properties of (2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol?
(2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 309.33 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 1488046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).