9H-fluoren-9-ylmethyl N-[3-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-dihydroxypropyl]carbamate

C25H22F3NO5 — CID 170834756

IUPAC9H-fluoren-9-ylmethyl N-[3-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-dihydroxypropyl]carbamate
SMILESO=C(NCC(O)C(O)c1ccc(F)cc1OC(F)F)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H22F3NO5/c26-14-9-10-19(22(11-14)34-24(27)28)23(31)21(30)12-29-25(32)33-13-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-11,20-21,23-24,30-31H,12-13H2,(H,29,32)
InChIKeyYPMIRYGRGZMENJ-UHFFFAOYSA-N
MW473.45 g/mol
LogP4.36
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-[3-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-dihydroxypropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-dihydroxypropyl]carbamate (PubChem CID 170834756) has the molecular formula C25H22F3NO5 and a molecular weight of 473.45 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-dihydroxypropyl]carbamate
PubChem CID170834756
Molecular FormulaC25H22F3NO5
Molecular Weight473.45 g/mol
Exact Mass473.15
IUPAC Name9H-fluoren-9-ylmethyl N-[3-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-dihydroxypropyl]carbamate
SMILESO=C(NCC(O)C(O)c1ccc(F)cc1OC(F)F)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H22F3NO5/c26-14-9-10-19(22(11-14)34-24(27)28)23(31)21(30)12-29-25(32)33-13-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-11,20-21,23-24,30-31H,12-13H2,(H,29,32)
InChIKeyYPMIRYGRGZMENJ-UHFFFAOYSA-N
XLogP4.36
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.45
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(4-fluoro-2-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833702
9H-fluoren-9-ylmethyl N-[3-(2-acetyl-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834501
9H-fluoren-9-ylmethyl N-[3-(2-cyano-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834210
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833785
9H-fluoren-9-ylmethyl N-[3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833989
9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833747
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833767
9H-fluoren-9-ylmethyl N-[3-(4-chloro-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834066
9H-fluoren-9-ylmethyl N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834129
9H-fluoren-9-ylmethyl N-[3-(3-acetyl-2-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834499
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methylphenyl)propyl]carbamate
CID 170833599
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-3-methoxybenzoic acid
CID 170834777

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-dihydroxypropyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-dihydroxypropyl]carbamate (CID 170834756) is 9H-fluoren-9-ylmethyl N-[3-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-dihydroxypropyl]carbamate is O=C(NCC(O)C(O)c1ccc(F)cc1OC(F)F)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-dihydroxypropyl]carbamate?
The InChIKey is YPMIRYGRGZMENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3NO5/c26-14-9-10-19(22(11-14)34-24(27)28)23(31)21(30)12-29-25(32)33-13-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-11,20-21,23-24,30-31H,12-13H2,(H,29,32).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-dihydroxypropyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-dihydroxypropyl]carbamate has a molecular weight of 473.45 g/mol, XLogP of 4.36, 8 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-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170834756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).