tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropyl]carbamate

C14H24F2N2O3 — CID 107095531

IUPACtert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(F)(F)CNCC1CCC=CO1
InChIInChI=1S/C14H24F2N2O3/c1-13(2,3)21-12(19)18-10-14(15,16)9-17-8-11-6-4-5-7-20-11/h5,7,11,17H,4,6,8-10H2,1-3H3,(H,18,19)
InChIKeyCSVHHBMMDBOUIC-UHFFFAOYSA-N
MW306.35 g/mol
LogP2.43
Rot. Bonds6

About tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropyl]carbamate

tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropyl]carbamate (PubChem CID 107095531) has the molecular formula C14H24F2N2O3 and a molecular weight of 306.35 g/mol. Its IUPAC name is tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropyl]carbamate
PubChem CID107095531
Molecular FormulaC14H24F2N2O3
Molecular Weight306.35 g/mol
Exact Mass306.18
IUPAC Nametert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(F)(F)CNCC1CCC=CO1
InChIInChI=1S/C14H24F2N2O3/c1-13(2,3)21-12(19)18-10-14(15,16)9-17-8-11-6-4-5-7-20-11/h5,7,11,17H,4,6,8-10H2,1-3H3,(H,18,19)
InChIKeyCSVHHBMMDBOUIC-UHFFFAOYSA-N
XLogP2.43
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl ((3,4-dihydro-2H-pyran-2-yl)methyl)carbamate
CID 15728132
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl carbamate
CID 83202562
tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-2-yl]carbamate
CID 105021938
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]carbamate
CID 105022135
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-N-methylcarbamate
CID 107094743
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-N-ethylcarbamate
CID 107094758
tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate
CID 107094851
tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]-N-methylcarbamate
CID 107094854
tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]-N-ethylcarbamate
CID 107094857
tert-butyl N-cyclopropyl-N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate
CID 107094858
tert-butyl N-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-yl]carbamate
CID 107094890
tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropyl]-N-methylcarbamate
CID 107094971

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropyl]carbamate (CID 107095531) is tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropyl]carbamate is CC(C)(C)OC(=O)NCC(F)(F)CNCC1CCC=CO1.
What is the InChIKey of tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropyl]carbamate?
The InChIKey is CSVHHBMMDBOUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O3/c1-13(2,3)21-12(19)18-10-14(15,16)9-17-8-11-6-4-5-7-20-11/h5,7,11,17H,4,6,8-10H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropyl]carbamate?
tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropyl]carbamate has a molecular weight of 306.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropyl]carbamate is sourced from PubChem (CID 107095531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).