1-amino-2-(9H-fluoren-1-yl)-3,3,3-trifluoro-1,1-diphenylpropan-2-ol

C28H22F3NO — CID 151044510

IUPAC1-amino-2-(9H-fluoren-1-yl)-3,3,3-trifluoro-1,1-diphenylpropan-2-ol
SMILESNC(c1ccccc1)(c1ccccc1)C(O)(c1cccc2c1Cc1ccccc1-2)C(F)(F)F
InChIInChI=1S/C28H22F3NO/c29-28(30,31)27(33,25-17-9-16-23-22-15-8-7-10-19(22)18-24(23)25)26(32,20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-17,33H,18,32H2
InChIKeyMCUBFHWBCACSEE-UHFFFAOYSA-N
MW445.48 g/mol
LogP5.91
Rot. Bonds4

About 1-amino-2-(9H-fluoren-1-yl)-3,3,3-trifluoro-1,1-diphenylpropan-2-ol

1-amino-2-(9H-fluoren-1-yl)-3,3,3-trifluoro-1,1-diphenylpropan-2-ol (PubChem CID 151044510) has the molecular formula C28H22F3NO and a molecular weight of 445.48 g/mol. Its IUPAC name is 1-amino-2-(9H-fluoren-1-yl)-3,3,3-trifluoro-1,1-diphenylpropan-2-ol.

Molecular Properties

Compound Name1-amino-2-(9H-fluoren-1-yl)-3,3,3-trifluoro-1,1-diphenylpropan-2-ol
PubChem CID151044510
Molecular FormulaC28H22F3NO
Molecular Weight445.48 g/mol
Exact Mass445.17
IUPAC Name1-amino-2-(9H-fluoren-1-yl)-3,3,3-trifluoro-1,1-diphenylpropan-2-ol
SMILESNC(c1ccccc1)(c1ccccc1)C(O)(c1cccc2c1Cc1ccccc1-2)C(F)(F)F
InChIInChI=1S/C28H22F3NO/c29-28(30,31)27(33,25-17-9-16-23-22-15-8-7-10-19(22)18-24(23)25)26(32,20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-17,33H,18,32H2
InChIKeyMCUBFHWBCACSEE-UHFFFAOYSA-N
XLogP5.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.48
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene
CID 141254702
1-(1,1,2,2-tetraphenylethyl)-9H-fluorene
CID 151581060
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene
CID 151464335
1,1-bis(9H-fluoren-1-yl)ethyl carbamate
CID 151505188
1-(2,2,2-triphenylethyl)-9H-fluorene
CID 151369525
1-phenyl-9H-fluorene;4-(trifluoromethyl)benzenesulfonic acid
CID 158777181
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
2-(9H-fluoren-1-ylsulfanyl)-4-(trifluoromethyl)benzoic acid
CID 150700595
3-cyclopenta-1,3-dien-1-yl-3-(9H-fluoren-1-yl)pentan-1-ol
CID 18622804
2-(9H-fluoren-1-yl)acetamide
CID 22939017
CID 123562270
CID 123562270

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(9H-fluoren-1-yl)-3,3,3-trifluoro-1,1-diphenylpropan-2-ol?
The IUPAC name of 1-amino-2-(9H-fluoren-1-yl)-3,3,3-trifluoro-1,1-diphenylpropan-2-ol (CID 151044510) is 1-amino-2-(9H-fluoren-1-yl)-3,3,3-trifluoro-1,1-diphenylpropan-2-ol.
What is the SMILES notation for 1-amino-2-(9H-fluoren-1-yl)-3,3,3-trifluoro-1,1-diphenylpropan-2-ol?
The canonical SMILES for 1-amino-2-(9H-fluoren-1-yl)-3,3,3-trifluoro-1,1-diphenylpropan-2-ol is NC(c1ccccc1)(c1ccccc1)C(O)(c1cccc2c1Cc1ccccc1-2)C(F)(F)F.
What is the InChIKey of 1-amino-2-(9H-fluoren-1-yl)-3,3,3-trifluoro-1,1-diphenylpropan-2-ol?
The InChIKey is MCUBFHWBCACSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F3NO/c29-28(30,31)27(33,25-17-9-16-23-22-15-8-7-10-19(22)18-24(23)25)26(32,20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-17,33H,18,32H2.
What are the key properties of 1-amino-2-(9H-fluoren-1-yl)-3,3,3-trifluoro-1,1-diphenylpropan-2-ol?
1-amino-2-(9H-fluoren-1-yl)-3,3,3-trifluoro-1,1-diphenylpropan-2-ol has a molecular weight of 445.48 g/mol, XLogP of 5.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(9H-fluoren-1-yl)-3,3,3-trifluoro-1,1-diphenylpropan-2-ol is sourced from PubChem (CID 151044510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).