tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)carbamate

C14H18FNO3 — CID 22404771

IUPACtert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1c(F)ccc2c1OCCC2
InChIInChI=1S/C14H18FNO3/c1-14(2,3)19-13(17)16-11-10(15)7-6-9-5-4-8-18-12(9)11/h6-7H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyIVGSUEKBPHCPIR-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.50
Rot. Bonds1

About tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)carbamate

tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)carbamate (PubChem CID 22404771) 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-8-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)carbamate
PubChem CID22404771
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Nametert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1c(F)ccc2c1OCCC2
InChIInChI=1S/C14H18FNO3/c1-14(2,3)19-13(17)16-11-10(15)7-6-9-5-4-8-18-12(9)11/h6-7H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyIVGSUEKBPHCPIR-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(3,6-difluoro-2-formylphenyl)carbamate
CID 118996744
tert-butyl N-(3-amino-6-fluoro-2-hydroxyphenyl)carbamate
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7-fluoro-3,4-dihydro-2H-chromen-8-ol
CID 10630931
tert-butyl N-(6-bromo-2,3-dihydro-1,4-benzodioxin-5-yl)carbamate
CID 178072489
tert-butyl N-(2-amino-6-fluorophenyl)carbamate
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tert-butyl N-[5-[(2-chloroacetyl)amino]-3,4-dihydro-2H-chromen-8-yl]carbamate
CID 145492912
tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate
CID 153485690
8-bromo-7-fluoro-3,4-dihydro-2H-chromene
CID 155778553
tert-butyl N-[1-[(8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-5-yl)amino]-1-oxopropan-2-yl]carbamate
CID 77456456
tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate
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tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
[3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]boronic acid
CID 142785528

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)carbamate?
The IUPAC name of tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)carbamate (CID 22404771) is tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)carbamate.
What is the SMILES notation for tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)carbamate?
The canonical SMILES for tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)carbamate is CC(C)(C)OC(=O)Nc1c(F)ccc2c1OCCC2.
What is the InChIKey of tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)carbamate?
The InChIKey is IVGSUEKBPHCPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-14(2,3)19-13(17)16-11-10(15)7-6-9-5-4-8-18-12(9)11/h6-7H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)carbamate?
tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)carbamate has a molecular weight of 267.30 g/mol, XLogP of 3.50, 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-8-yl)carbamate is sourced from PubChem (CID 22404771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).