9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate

C19H18F3NO3 — CID 107483352

IUPAC9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N(CCO)CC(F)(F)F
InChIInChI=1S/C19H18F3NO3/c20-19(21,22)12-23(9-10-24)18(25)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17,24H,9-12H2
InChIKeyWMYSXVJJUITLFJ-UHFFFAOYSA-N
MW365.35 g/mol
LogP3.79
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate

9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 107483352) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate
PubChem CID107483352
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N(CCO)CC(F)(F)F
InChIInChI=1S/C19H18F3NO3/c20-19(21,22)12-23(9-10-24)18(25)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17,24H,9-12H2
InChIKeyWMYSXVJJUITLFJ-UHFFFAOYSA-N
XLogP3.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-(3-aminopropyl)-N-[4-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]butyl]carbamate;dihydrochloride
CID 121233598
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CID 57151927
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
9H-fluoren-9-ylmethyl N,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
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9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate
CID 86810454
9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylcarbamoyloxy)ethyl]carbamate
CID 178159554
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
2-[9H-fluoren-9-ylmethoxycarbonyl(trifluoromethyl)amino]propanoic acid
CID 155888114
9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate
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2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid
CID 125449008
9H-fluoren-9-ylmethyl 2-hydroxyethyl carbonate
CID 174872937
N-ethyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
CID 67598243

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate (CID 107483352) is 9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate is O=C(OCC1c2ccccc2-c2ccccc21)N(CCO)CC(F)(F)F.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is WMYSXVJJUITLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c20-19(21,22)12-23(9-10-24)18(25)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17,24H,9-12H2.
What are the key properties of 9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate?
9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 365.35 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 107483352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).