(2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-(2,2,2-trifluoroethylamino)butan-2-ol

C25H25F3N2O — CID 166858284

IUPAC(2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-(2,2,2-trifluoroethylamino)butan-2-ol
SMILESO[C@H](CNCC(F)(F)F)[C@H](Cc1ccccc1)NC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H25F3N2O/c26-25(27,28)16-29-15-23(31)22(14-17-8-2-1-3-9-17)30-24-20-12-6-4-10-18(20)19-11-5-7-13-21(19)24/h1-13,22-24,29-31H,14-16H2/t22-,23+/m0/s1
InChIKeyXLUWDDMPKMEASJ-XZOQPEGZSA-N
MW426.48 g/mol
LogP4.47
Rot. Bonds8

About (2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-(2,2,2-trifluoroethylamino)butan-2-ol

(2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-(2,2,2-trifluoroethylamino)butan-2-ol (PubChem CID 166858284) has the molecular formula C25H25F3N2O and a molecular weight of 426.48 g/mol. Its IUPAC name is (2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-(2,2,2-trifluoroethylamino)butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-(2,2,2-trifluoroethylamino)butan-2-ol
PubChem CID166858284
Molecular FormulaC25H25F3N2O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC Name(2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-(2,2,2-trifluoroethylamino)butan-2-ol
SMILESO[C@H](CNCC(F)(F)F)[C@H](Cc1ccccc1)NC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H25F3N2O/c26-25(27,28)16-29-15-23(31)22(14-17-8-2-1-3-9-17)30-24-20-12-6-4-10-18(20)19-11-5-7-13-21(19)24/h1-13,22-24,29-31H,14-16H2/t22-,23+/m0/s1
InChIKeyXLUWDDMPKMEASJ-XZOQPEGZSA-N
XLogP4.47
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-Phenyl-2-{[2-(trifluoromethyl)benzyl]amino}-1-propanol
CID 15944997
2-(Indan-1-ylamino)-cyclohexanol
CID 15925776
2-Propanol, 1-(fluoren-9-ylamino)-3-(isopropylamino)-, dihydrochloride
CID 209595
(2R)-2-(9H-fluoren-9-ylamino)butan-1-ol
CID 28723501
US12492163, Name (8)
CID 166858090
(1R,2S)-1-[[4-hydroxy-4-(trifluoromethyl)cyclohexyl]amino]-2,3-dihydro-1H-inden-2-ol
CID 84587736
(1R,2S)-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1-fluoro-1-phenylpropan-2-ol
CID 101765240
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-(9H-fluoren-9-ylamino)-3-hydroxybutan-2-yl]acetamide
CID 9979638
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[2-(2-methylpropyl)-9H-fluoren-9-yl]amino]butan-2-yl]acetamide
CID 10005291
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(2-ethyl-9H-fluoren-9-yl)amino]-3-hydroxybutan-2-yl]acetamide
CID 10026783
N-[(2S,3R)-4-[(2-cyclopentyl-9H-fluoren-9-yl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
CID 10074316
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[2-ethyl-5-(trifluoromethyl)-9H-fluoren-9-yl]amino]-3-hydroxybutan-2-yl]acetamide
CID 10098107

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-(2,2,2-trifluoroethylamino)butan-2-ol?
The IUPAC name of (2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-(2,2,2-trifluoroethylamino)butan-2-ol (CID 166858284) is (2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-(2,2,2-trifluoroethylamino)butan-2-ol.
What is the SMILES notation for (2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-(2,2,2-trifluoroethylamino)butan-2-ol?
The canonical SMILES for (2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-(2,2,2-trifluoroethylamino)butan-2-ol is O[C@H](CNCC(F)(F)F)[C@H](Cc1ccccc1)NC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-(2,2,2-trifluoroethylamino)butan-2-ol?
The InChIKey is XLUWDDMPKMEASJ-XZOQPEGZSA-N. The full InChI is InChI=1S/C25H25F3N2O/c26-25(27,28)16-29-15-23(31)22(14-17-8-2-1-3-9-17)30-24-20-12-6-4-10-18(20)19-11-5-7-13-21(19)24/h1-13,22-24,29-31H,14-16H2/t22-,23+/m0/s1.
What are the key properties of (2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-(2,2,2-trifluoroethylamino)butan-2-ol?
(2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-(2,2,2-trifluoroethylamino)butan-2-ol has a molecular weight of 426.48 g/mol, XLogP of 4.47, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-(2,2,2-trifluoroethylamino)butan-2-ol is sourced from PubChem (CID 166858284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).