tert-butyl N-[(2R,3R)-6-(difluoromethyl)-2-(3-hydroxypropyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate

C16H22F2N2O4 — CID 177205674

IUPACtert-butyl N-[(2R,3R)-6-(difluoromethyl)-2-(3-hydroxypropyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1c2ccc(C(F)F)nc2O[C@@H]1CCCO
InChIInChI=1S/C16H22F2N2O4/c1-16(2,3)24-15(22)20-12-9-6-7-10(13(17)18)19-14(9)23-11(12)5-4-8-21/h6-7,11-13,21H,4-5,8H2,1-3H3,(H,20,22)/t11-,12-/m1/s1
InChIKeyZHXCNFVQASRGHG-VXGBXAGGSA-N
MW344.36 g/mol
LogP3.12
Rot. Bonds5

About tert-butyl N-[(2R,3R)-6-(difluoromethyl)-2-(3-hydroxypropyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate

tert-butyl N-[(2R,3R)-6-(difluoromethyl)-2-(3-hydroxypropyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate (PubChem CID 177205674) has the molecular formula C16H22F2N2O4 and a molecular weight of 344.36 g/mol. Its IUPAC name is tert-butyl N-[(2R,3R)-6-(difluoromethyl)-2-(3-hydroxypropyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3R)-6-(difluoromethyl)-2-(3-hydroxypropyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate
PubChem CID177205674
Molecular FormulaC16H22F2N2O4
Molecular Weight344.36 g/mol
Exact Mass344.15
IUPAC Nametert-butyl N-[(2R,3R)-6-(difluoromethyl)-2-(3-hydroxypropyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1c2ccc(C(F)F)nc2O[C@@H]1CCCO
InChIInChI=1S/C16H22F2N2O4/c1-16(2,3)24-15(22)20-12-9-6-7-10(13(17)18)19-14(9)23-11(12)5-4-8-21/h6-7,11-13,21H,4-5,8H2,1-3H3,(H,20,22)/t11-,12-/m1/s1
InChIKeyZHXCNFVQASRGHG-VXGBXAGGSA-N
XLogP3.12
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate
CID 177205489
tert-butyl N-[(3R,4R)-7-(difluoromethoxy)-3-hydroxy-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]carbamate
CID 177204655
tert-butyl N-[1-(6-bromo-2-pyridinyl)-4-hydroxybutyl]carbamate
CID 72659497
tert-butyl N-[[4-(3-hydroxypropylamino)phenyl]methyl]carbamate
CID 82539735
tert-butyl 2-[6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 166159837
tert-butyl N-[(5S,6S)-6-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]carbamate
CID 177204753
tert-butyl N-[1-(6-bromo-2-pyridinyl)-2,2,2-trifluoroethyl]carbamate
CID 170577042
tert-butyl N-[4-(3-hydroxypropylamino)cyclohexyl]carbamate
CID 79113499
tert-butyl N-(trimethylsilylmethyl)carbamate
CID 45092007
tert-butyl N-[(5R,6S)-2-chloro-6-hydroxy-5,6,7,8-tetrahydroquinolin-5-yl]carbamate
CID 177204659
tert-butyl N-(7-hydroxyheptan-3-yl)carbamate
CID 142913941
tert-butyl (2S)-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 10924706

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3R)-6-(difluoromethyl)-2-(3-hydroxypropyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3R)-6-(difluoromethyl)-2-(3-hydroxypropyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate (CID 177205674) is tert-butyl N-[(2R,3R)-6-(difluoromethyl)-2-(3-hydroxypropyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3R)-6-(difluoromethyl)-2-(3-hydroxypropyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3R)-6-(difluoromethyl)-2-(3-hydroxypropyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1c2ccc(C(F)F)nc2O[C@@H]1CCCO.
What is the InChIKey of tert-butyl N-[(2R,3R)-6-(difluoromethyl)-2-(3-hydroxypropyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate?
The InChIKey is ZHXCNFVQASRGHG-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H22F2N2O4/c1-16(2,3)24-15(22)20-12-9-6-7-10(13(17)18)19-14(9)23-11(12)5-4-8-21/h6-7,11-13,21H,4-5,8H2,1-3H3,(H,20,22)/t11-,12-/m1/s1.
What are the key properties of tert-butyl N-[(2R,3R)-6-(difluoromethyl)-2-(3-hydroxypropyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate?
tert-butyl N-[(2R,3R)-6-(difluoromethyl)-2-(3-hydroxypropyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate has a molecular weight of 344.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3R)-6-(difluoromethyl)-2-(3-hydroxypropyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate is sourced from PubChem (CID 177205674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).