tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate

C14H18FNO3 — CID 144863293

IUPACtert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCOc2cc(F)ccc21
InChIInChI=1S/C14H18FNO3/c1-14(2,3)19-13(17)16-11-6-7-18-12-8-9(15)4-5-10(11)12/h4-5,8,11H,6-7H2,1-3H3,(H,16,17)
InChIKeyQBKFSEANCBNDHG-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.17
Rot. Bonds1

About tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate

tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate (PubChem CID 144863293) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
PubChem CID144863293
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Nametert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCOc2cc(F)ccc21
InChIInChI=1S/C14H18FNO3/c1-14(2,3)19-13(17)16-11-6-7-18-12-8-9(15)4-5-10(11)12/h4-5,8,11H,6-7H2,1-3H3,(H,16,17)
InChIKeyQBKFSEANCBNDHG-UHFFFAOYSA-N
XLogP3.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(4R)-6-hydroxy-3,4-dihydro-2H-chromen-4-yl]carbamate
CID 164592811
tert-butyl N-(6-tert-butyl-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 58215859
tert-butyl N-(6-iodo-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 70330503
tert-butyl N-[7-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-chromen-4-yl]carbamate
CID 139331019
tert-butyl N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)carbamate
CID 63790273
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
CID 110751259
tert-butyl N-[(3R)-6-methoxy-2,3-dihydro-1-benzofuran-3-yl]carbamate
CID 134129728
tert-butyl N-[[(4R)-7-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate
CID 118597927
tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate
CID 688318
tert-butyl N-[1-(3,5-difluorophenyl)-4-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-yl]carbamate
CID 143107755
methyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylcarbamothioylamino]-3,4-dihydro-2H-chromene-6-carboxylate
CID 168919146
benzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 110751299

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate?
The IUPAC name of tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate (CID 144863293) is tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate is CC(C)(C)OC(=O)NC1CCOc2cc(F)ccc21.
What is the InChIKey of tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate?
The InChIKey is QBKFSEANCBNDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-14(2,3)19-13(17)16-11-6-7-18-12-8-9(15)4-5-10(11)12/h4-5,8,11H,6-7H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate?
tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate has a molecular weight of 267.30 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate is sourced from PubChem (CID 144863293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).