tert-butyl N-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamate

C16H22FNO3 — CID 67362567

IUPACtert-butyl N-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21
InChIInChI=1S/C16H22FNO3/c1-15(2,3)21-14(19)18-12-9-16(4,5)20-13-8-10(17)6-7-11(12)13/h6-8,12H,9H2,1-5H3,(H,18,19)/t12-/m1/s1
InChIKeyPQVYGAGJGRLCOI-GFCCVEGCSA-N
MW295.35 g/mol
LogP3.95
Rot. Bonds1

About tert-butyl N-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamate

tert-butyl N-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamate (PubChem CID 67362567) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is tert-butyl N-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamate
PubChem CID67362567
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Nametert-butyl N-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21
InChIInChI=1S/C16H22FNO3/c1-15(2,3)21-14(19)18-12-9-16(4,5)20-13-8-10(17)6-7-11(12)13/h6-8,12H,9H2,1-5H3,(H,18,19)/t12-/m1/s1
InChIKeyPQVYGAGJGRLCOI-GFCCVEGCSA-N
XLogP3.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamate (CID 67362567) is tert-butyl N-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21.
What is the InChIKey of tert-butyl N-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamate?
The InChIKey is PQVYGAGJGRLCOI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-15(2,3)21-14(19)18-12-9-16(4,5)20-13-8-10(17)6-7-11(12)13/h6-8,12H,9H2,1-5H3,(H,18,19)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamate?
tert-butyl N-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamate has a molecular weight of 295.35 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamate is sourced from PubChem (CID 67362567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).