2-[[(1R,2R)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3,3,3-trifluoropropan-1-ol

C17H16Cl2F3NO2 — CID 90341474

IUPAC2-[[(1R,2R)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3,3,3-trifluoropropan-1-ol
SMILESOCC(N[C@H](c1ccc(Cl)cc1)[C@H](O)c1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C17H16Cl2F3NO2/c18-12-6-4-10(5-7-12)15(23-14(9-24)17(20,21)22)16(25)11-2-1-3-13(19)8-11/h1-8,14-16,23-25H,9H2/t14?,15-,16-/m1/s1
InChIKeyXRNAQQFCDNBZMA-ANGDWKNPSA-N
MW394.22 g/mol
LogP4.28
Rot. Bonds6

About 2-[[(1R,2R)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3,3,3-trifluoropropan-1-ol

2-[[(1R,2R)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3,3,3-trifluoropropan-1-ol (PubChem CID 90341474) has the molecular formula C17H16Cl2F3NO2 and a molecular weight of 394.22 g/mol. Its IUPAC name is 2-[[(1R,2R)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name2-[[(1R,2R)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3,3,3-trifluoropropan-1-ol
PubChem CID90341474
Molecular FormulaC17H16Cl2F3NO2
Molecular Weight394.22 g/mol
Exact Mass393.05
IUPAC Name2-[[(1R,2R)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3,3,3-trifluoropropan-1-ol
SMILESOCC(N[C@H](c1ccc(Cl)cc1)[C@H](O)c1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C17H16Cl2F3NO2/c18-12-6-4-10(5-7-12)15(23-14(9-24)17(20,21)22)16(25)11-2-1-3-13(19)8-11/h1-8,14-16,23-25H,9H2/t14?,15-,16-/m1/s1
InChIKeyXRNAQQFCDNBZMA-ANGDWKNPSA-N
XLogP4.28
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.22
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(1R,2R)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3,3,3-trifluoropropan-1-ol with MolForge

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Related Compounds

(1S,2S)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
CID 89490501
(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
CID 89490500
tert-butyl N-[(1S,2R)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxyethyl]carbamate
CID 89490745
(2R)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 89490826
(1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 118631975
(2S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 118633773
3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 65186071
(1R,2S)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-4-cyclopropylbutan-1-ol
CID 160646296
(1S,2S)-1-(3-chlorophenyl)-2-(1-hydroxypropan-2-ylamino)propan-1-ol
CID 101431798
(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
tert-butyl 3-bromo-4-[[(1R,2R)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxyethyl]amino]-4-oxobutanoate
CID 90341891
2-amino-1-(3-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 123373360

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 2-[[(1R,2R)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3,3,3-trifluoropropan-1-ol (CID 90341474) is 2-[[(1R,2R)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 2-[[(1R,2R)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 2-[[(1R,2R)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3,3,3-trifluoropropan-1-ol is OCC(N[C@H](c1ccc(Cl)cc1)[C@H](O)c1cccc(Cl)c1)C(F)(F)F.
What is the InChIKey of 2-[[(1R,2R)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3,3,3-trifluoropropan-1-ol?
The InChIKey is XRNAQQFCDNBZMA-ANGDWKNPSA-N. The full InChI is InChI=1S/C17H16Cl2F3NO2/c18-12-6-4-10(5-7-12)15(23-14(9-24)17(20,21)22)16(25)11-2-1-3-13(19)8-11/h1-8,14-16,23-25H,9H2/t14?,15-,16-/m1/s1.
What are the key properties of 2-[[(1R,2R)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3,3,3-trifluoropropan-1-ol?
2-[[(1R,2R)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3,3,3-trifluoropropan-1-ol has a molecular weight of 394.22 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 90341474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).