2,2,2-trifluoroethyl N-[3-(9H-fluoren-2-ylamino)-3-oxopropyl]carbamate

C19H17F3N2O3 — CID 52730899

IUPAC2,2,2-trifluoroethyl N-[3-(9H-fluoren-2-ylamino)-3-oxopropyl]carbamate
SMILESO=C(CCNC(=O)OCC(F)(F)F)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C19H17F3N2O3/c20-19(21,22)11-27-18(26)23-8-7-17(25)24-14-5-6-16-13(10-14)9-12-3-1-2-4-15(12)16/h1-6,10H,7-9,11H2,(H,23,26)(H,24,25)
InChIKeyGWYNTWZROLLKCM-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.87
Rot. Bonds5

About 2,2,2-trifluoroethyl N-[3-(9H-fluoren-2-ylamino)-3-oxopropyl]carbamate

2,2,2-trifluoroethyl N-[3-(9H-fluoren-2-ylamino)-3-oxopropyl]carbamate (PubChem CID 52730899) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[3-(9H-fluoren-2-ylamino)-3-oxopropyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[3-(9H-fluoren-2-ylamino)-3-oxopropyl]carbamate
PubChem CID52730899
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name2,2,2-trifluoroethyl N-[3-(9H-fluoren-2-ylamino)-3-oxopropyl]carbamate
SMILESO=C(CCNC(=O)OCC(F)(F)F)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C19H17F3N2O3/c20-19(21,22)11-27-18(26)23-8-7-17(25)24-14-5-6-16-13(10-14)9-12-3-1-2-4-15(12)16/h1-6,10H,7-9,11H2,(H,23,26)(H,24,25)
InChIKeyGWYNTWZROLLKCM-UHFFFAOYSA-N
XLogP3.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[3-(9H-fluoren-2-ylamino)-3-oxopropyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[3-(9H-fluoren-2-ylamino)-3-oxopropyl]carbamate (CID 52730899) is 2,2,2-trifluoroethyl N-[3-(9H-fluoren-2-ylamino)-3-oxopropyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[3-(9H-fluoren-2-ylamino)-3-oxopropyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[3-(9H-fluoren-2-ylamino)-3-oxopropyl]carbamate is O=C(CCNC(=O)OCC(F)(F)F)Nc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2,2,2-trifluoroethyl N-[3-(9H-fluoren-2-ylamino)-3-oxopropyl]carbamate?
The InChIKey is GWYNTWZROLLKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c20-19(21,22)11-27-18(26)23-8-7-17(25)24-14-5-6-16-13(10-14)9-12-3-1-2-4-15(12)16/h1-6,10H,7-9,11H2,(H,23,26)(H,24,25).
What are the key properties of 2,2,2-trifluoroethyl N-[3-(9H-fluoren-2-ylamino)-3-oxopropyl]carbamate?
2,2,2-trifluoroethyl N-[3-(9H-fluoren-2-ylamino)-3-oxopropyl]carbamate has a molecular weight of 378.35 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[3-(9H-fluoren-2-ylamino)-3-oxopropyl]carbamate is sourced from PubChem (CID 52730899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).