tert-butyl N-[1-(1,1-difluoropropan-2-ylamino)propan-2-yl]carbamate

C11H22F2N2O2 — CID 107247716

IUPACtert-butyl N-[1-(1,1-difluoropropan-2-ylamino)propan-2-yl]carbamate
SMILESCC(CNC(C)C(F)F)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22F2N2O2/c1-7(6-14-8(2)9(12)13)15-10(16)17-11(3,4)5/h7-9,14H,6H2,1-5H3,(H,15,16)
InChIKeyVQWVRIACAWRUHB-UHFFFAOYSA-N
MW252.30 g/mol
LogP2.14
Rot. Bonds5

About tert-butyl N-[1-(1,1-difluoropropan-2-ylamino)propan-2-yl]carbamate

tert-butyl N-[1-(1,1-difluoropropan-2-ylamino)propan-2-yl]carbamate (PubChem CID 107247716) has the molecular formula C11H22F2N2O2 and a molecular weight of 252.30 g/mol. Its IUPAC name is tert-butyl N-[1-(1,1-difluoropropan-2-ylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1,1-difluoropropan-2-ylamino)propan-2-yl]carbamate
PubChem CID107247716
Molecular FormulaC11H22F2N2O2
Molecular Weight252.30 g/mol
Exact Mass252.16
IUPAC Nametert-butyl N-[1-(1,1-difluoropropan-2-ylamino)propan-2-yl]carbamate
SMILESCC(CNC(C)C(F)F)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22F2N2O2/c1-7(6-14-8(2)9(12)13)15-10(16)17-11(3,4)5/h7-9,14H,6H2,1-5H3,(H,15,16)
InChIKeyVQWVRIACAWRUHB-UHFFFAOYSA-N
XLogP2.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]propan-2-yl]carbamate
CID 130574165
tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate
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tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate
CID 107247678
tert-butyl N-[(2R)-1-(ethylamino)propan-2-yl]carbamate
CID 71301755
tert-butyl N-[(2R,4S)-4-fluoro-5-hydroxypentan-2-yl]carbamate
CID 172915809
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952
tert-butyl N-[1-[1-[1-(propan-2-ylcarbamoylamino)propan-2-ylcarbamoylamino]propan-2-ylcarbamoylamino]propan-2-yl]carbamate
CID 21030199
tert-butyl N-[1-[[2-(aminomethyl)-3-methylbutyl]amino]propan-2-yl]carbamate
CID 107442960
tert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate
CID 130573926
tert-butyl N-(3,5-difluorohexan-2-yl)carbamate
CID 166971903
tert-butyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate
CID 130666310

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1,1-difluoropropan-2-ylamino)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(1,1-difluoropropan-2-ylamino)propan-2-yl]carbamate (CID 107247716) is tert-butyl N-[1-(1,1-difluoropropan-2-ylamino)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1,1-difluoropropan-2-ylamino)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1,1-difluoropropan-2-ylamino)propan-2-yl]carbamate is CC(CNC(C)C(F)F)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(1,1-difluoropropan-2-ylamino)propan-2-yl]carbamate?
The InChIKey is VQWVRIACAWRUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O2/c1-7(6-14-8(2)9(12)13)15-10(16)17-11(3,4)5/h7-9,14H,6H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-[1-(1,1-difluoropropan-2-ylamino)propan-2-yl]carbamate?
tert-butyl N-[1-(1,1-difluoropropan-2-ylamino)propan-2-yl]carbamate has a molecular weight of 252.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1,1-difluoropropan-2-ylamino)propan-2-yl]carbamate is sourced from PubChem (CID 107247716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).