tert-butyl N-[3-(dicyclopropylmethylamino)-2,2-difluoropropyl]carbamate

C15H26F2N2O2 — CID 104955558

IUPACtert-butyl N-[3-(dicyclopropylmethylamino)-2,2-difluoropropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(F)(F)CNC(C1CC1)C1CC1
InChIInChI=1S/C15H26F2N2O2/c1-14(2,3)21-13(20)19-9-15(16,17)8-18-12(10-4-5-10)11-6-7-11/h10-12,18H,4-9H2,1-3H3,(H,19,20)
InChIKeyGQXZKCNBHIYKEF-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.92
Rot. Bonds7

About tert-butyl N-[3-(dicyclopropylmethylamino)-2,2-difluoropropyl]carbamate

tert-butyl N-[3-(dicyclopropylmethylamino)-2,2-difluoropropyl]carbamate (PubChem CID 104955558) has the molecular formula C15H26F2N2O2 and a molecular weight of 304.38 g/mol. Its IUPAC name is tert-butyl N-[3-(dicyclopropylmethylamino)-2,2-difluoropropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(dicyclopropylmethylamino)-2,2-difluoropropyl]carbamate
PubChem CID104955558
Molecular FormulaC15H26F2N2O2
Molecular Weight304.38 g/mol
Exact Mass304.20
IUPAC Nametert-butyl N-[3-(dicyclopropylmethylamino)-2,2-difluoropropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(F)(F)CNC(C1CC1)C1CC1
InChIInChI=1S/C15H26F2N2O2/c1-14(2,3)21-13(20)19-9-15(16,17)8-18-12(10-4-5-10)11-6-7-11/h10-12,18H,4-9H2,1-3H3,(H,19,20)
InChIKeyGQXZKCNBHIYKEF-UHFFFAOYSA-N
XLogP2.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(1-cyclohexylethylamino)-2,2-difluoropropyl]carbamate
CID 107257467
tert-butyl N-[3-(butan-2-ylamino)-2,2-difluoropropyl]carbamate
CID 104955597
tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate
CID 107257366
tert-butyl N-[2,2-difluoro-3-(2-methylpropylamino)propyl]carbamate
CID 104953993
tert-butyl N-[3-[(3-aminocyclopentyl)amino]-2,2-difluoropropyl]carbamate
CID 107257482
tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]-2,2-difluoropropyl]carbamate
CID 104953969
3,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 50986491
tert-butyl N-(3-cyclopropyl-2,2-difluoro-3-oxopropyl)carbamate
CID 165471431
2-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 142350592
tert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate
CID 107257517
tert-butyl N-[2,2-difluoro-3-[(4-methylcycloheptyl)amino]propyl]carbamate
CID 107257414
tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate
CID 67446222

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(dicyclopropylmethylamino)-2,2-difluoropropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(dicyclopropylmethylamino)-2,2-difluoropropyl]carbamate (CID 104955558) is tert-butyl N-[3-(dicyclopropylmethylamino)-2,2-difluoropropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(dicyclopropylmethylamino)-2,2-difluoropropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(dicyclopropylmethylamino)-2,2-difluoropropyl]carbamate is CC(C)(C)OC(=O)NCC(F)(F)CNC(C1CC1)C1CC1.
What is the InChIKey of tert-butyl N-[3-(dicyclopropylmethylamino)-2,2-difluoropropyl]carbamate?
The InChIKey is GQXZKCNBHIYKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2O2/c1-14(2,3)21-13(20)19-9-15(16,17)8-18-12(10-4-5-10)11-6-7-11/h10-12,18H,4-9H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[3-(dicyclopropylmethylamino)-2,2-difluoropropyl]carbamate?
tert-butyl N-[3-(dicyclopropylmethylamino)-2,2-difluoropropyl]carbamate has a molecular weight of 304.38 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(dicyclopropylmethylamino)-2,2-difluoropropyl]carbamate is sourced from PubChem (CID 104955558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).