methyl N-[1-(2-fluoro-2-oxoethyl)-9H-fluoren-9-yl]carbamate

C17H14FNO3 — CID 87287953

IUPACmethyl N-[1-(2-fluoro-2-oxoethyl)-9H-fluoren-9-yl]carbamate
SMILESCOC(=O)NC1c2ccccc2-c2cccc(CC(=O)F)c21
InChIInChI=1S/C17H14FNO3/c1-22-17(21)19-16-13-7-3-2-6-11(13)12-8-4-5-10(15(12)16)9-14(18)20/h2-8,16H,9H2,1H3,(H,19,21)
InChIKeyZYDPLWDCCQEVEK-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.15
Rot. Bonds3

About methyl N-[1-(2-fluoro-2-oxoethyl)-9H-fluoren-9-yl]carbamate

methyl N-[1-(2-fluoro-2-oxoethyl)-9H-fluoren-9-yl]carbamate (PubChem CID 87287953) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is methyl N-[1-(2-fluoro-2-oxoethyl)-9H-fluoren-9-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2-fluoro-2-oxoethyl)-9H-fluoren-9-yl]carbamate
PubChem CID87287953
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Namemethyl N-[1-(2-fluoro-2-oxoethyl)-9H-fluoren-9-yl]carbamate
SMILESCOC(=O)NC1c2ccccc2-c2cccc(CC(=O)F)c21
InChIInChI=1S/C17H14FNO3/c1-22-17(21)19-16-13-7-3-2-6-11(13)12-8-4-5-10(15(12)16)9-14(18)20/h2-8,16H,9H2,1H3,(H,19,21)
InChIKeyZYDPLWDCCQEVEK-UHFFFAOYSA-N
XLogP3.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methyl-9H-fluoren-9-yl)propanamide
CID 59907821
9-(methoxycarbonylamino)-9H-fluorene-2-sulfonic acid
CID 175249700
methyl 2-(7-methoxy-9-methyl-9H-fluoren-1-yl)acetate
CID 70633357
methyl 2-[4-(9H-fluoren-9-ylamino)phenyl]acetate
CID 174449731
methyl 2-(9H-fluoren-9-ylmethyl)prop-2-enoate
CID 54310352
methyl 2-[(7S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-7H-benzo[d][1]benzazepin-5-yl]acetate
CID 58972533
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluoropropanoate
CID 134850345
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
[1-[[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]amino]-1-oxopropan-2-yl] N-[(2-fluorophenyl)methyl]carbamate
CID 91441527
tert-butyl N-[(1R)-6-[2-(hydroxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 86760699

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2-fluoro-2-oxoethyl)-9H-fluoren-9-yl]carbamate?
The IUPAC name of methyl N-[1-(2-fluoro-2-oxoethyl)-9H-fluoren-9-yl]carbamate (CID 87287953) is methyl N-[1-(2-fluoro-2-oxoethyl)-9H-fluoren-9-yl]carbamate.
What is the SMILES notation for methyl N-[1-(2-fluoro-2-oxoethyl)-9H-fluoren-9-yl]carbamate?
The canonical SMILES for methyl N-[1-(2-fluoro-2-oxoethyl)-9H-fluoren-9-yl]carbamate is COC(=O)NC1c2ccccc2-c2cccc(CC(=O)F)c21.
What is the InChIKey of methyl N-[1-(2-fluoro-2-oxoethyl)-9H-fluoren-9-yl]carbamate?
The InChIKey is ZYDPLWDCCQEVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3/c1-22-17(21)19-16-13-7-3-2-6-11(13)12-8-4-5-10(15(12)16)9-14(18)20/h2-8,16H,9H2,1H3,(H,19,21).
What are the key properties of methyl N-[1-(2-fluoro-2-oxoethyl)-9H-fluoren-9-yl]carbamate?
methyl N-[1-(2-fluoro-2-oxoethyl)-9H-fluoren-9-yl]carbamate has a molecular weight of 299.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2-fluoro-2-oxoethyl)-9H-fluoren-9-yl]carbamate is sourced from PubChem (CID 87287953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).