9H-fluoren-9-ylmethyl N-[3-[3-formyl-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]carbamate

C26H22F3NO5 — CID 170835049

IUPAC9H-fluoren-9-ylmethyl N-[3-[3-formyl-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
SMILESO=Cc1cc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C26H22F3NO5/c27-26(28,29)17-10-15(13-31)9-16(11-17)24(33)23(32)12-30-25(34)35-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-11,13,22-24,32-33H,12,14H2,(H,30,34)
InChIKeyBDZIRCXPVVWELP-UHFFFAOYSA-N
MW485.46 g/mol
LogP4.45
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[3-[3-formyl-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-[3-formyl-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]carbamate (PubChem CID 170835049) has the molecular formula C26H22F3NO5 and a molecular weight of 485.46 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-[3-formyl-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-[3-formyl-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
PubChem CID170835049
Molecular FormulaC26H22F3NO5
Molecular Weight485.46 g/mol
Exact Mass485.15
IUPAC Name9H-fluoren-9-ylmethyl N-[3-[3-formyl-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
SMILESO=Cc1cc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C26H22F3NO5/c27-26(28,29)17-10-15(13-31)9-16(11-17)24(33)23(32)12-30-25(34)35-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-11,13,22-24,32-33H,12,14H2,(H,30,34)
InChIKeyBDZIRCXPVVWELP-UHFFFAOYSA-N
XLogP4.45
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.46
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 9H-fluoren-9-ylmethyl N-[3-[3-formyl-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3,4,5-trifluorophenyl)propyl]carbamate
CID 170834000
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[3-methoxy-5-(trifluoromethyl)phenyl]butyl]carbamate
CID 171887507
9H-fluoren-9-ylmethyl N-[3-[2-bromo-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 170835428
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propyl]carbamate
CID 170834869
9H-fluoren-9-ylmethyl N-[3-(3-amino-5-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833868
9H-fluoren-9-ylmethyl N-[3-(3,4-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833755
9H-fluoren-9-ylmethyl N-[4-(3-formylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886253
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[3-nitro-5-(trifluoromethyl)phenyl]butyl]carbamate
CID 171887598
9H-fluoren-9-ylmethyl N-[3-(3,4-diaminophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833851
9H-fluoren-9-ylmethyl N-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169470525
benzyl N-[4-[3-formyl-5-(trifluoromethyl)phenyl]-3,4-dihydroxybutyl]carbamate
CID 171889301
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]carbamate
CID 170835123

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[3-formyl-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[3-formyl-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]carbamate (CID 170835049) is 9H-fluoren-9-ylmethyl N-[3-[3-formyl-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-[3-formyl-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-[3-formyl-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]carbamate is O=Cc1cc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(C(F)(F)F)c1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-[3-formyl-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]carbamate?
The InChIKey is BDZIRCXPVVWELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3NO5/c27-26(28,29)17-10-15(13-31)9-16(11-17)24(33)23(32)12-30-25(34)35-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-11,13,22-24,32-33H,12,14H2,(H,30,34).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-[3-formyl-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-[3-formyl-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]carbamate has a molecular weight of 485.46 g/mol, XLogP of 4.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-[3-formyl-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170835049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).