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

C12H24F2N2O2 — CID 104955597

IUPACtert-butyl N-[3-(butan-2-ylamino)-2,2-difluoropropyl]carbamate
SMILESCCC(C)NCC(F)(F)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H24F2N2O2/c1-6-9(2)15-7-12(13,14)8-16-10(17)18-11(3,4)5/h9,15H,6-8H2,1-5H3,(H,16,17)
InChIKeyPNOVMSWYFYUJKA-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.53
Rot. Bonds6

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

tert-butyl N-[3-(butan-2-ylamino)-2,2-difluoropropyl]carbamate (PubChem CID 104955597) has the molecular formula C12H24F2N2O2 and a molecular weight of 266.33 g/mol. Its IUPAC name is tert-butyl N-[3-(butan-2-ylamino)-2,2-difluoropropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(butan-2-ylamino)-2,2-difluoropropyl]carbamate
PubChem CID104955597
Molecular FormulaC12H24F2N2O2
Molecular Weight266.33 g/mol
Exact Mass266.18
IUPAC Nametert-butyl N-[3-(butan-2-ylamino)-2,2-difluoropropyl]carbamate
SMILESCCC(C)NCC(F)(F)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H24F2N2O2/c1-6-9(2)15-7-12(13,14)8-16-10(17)18-11(3,4)5/h9,15H,6-8H2,1-5H3,(H,16,17)
InChIKeyPNOVMSWYFYUJKA-UHFFFAOYSA-N
XLogP2.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.53
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-[2,2-difluoro-3-(2-methylpropylamino)propyl]carbamate
CID 104953993
tert-butyl N-[3-(dicyclopropylmethylamino)-2,2-difluoropropyl]carbamate
CID 104955558
tert-butyl N-[3-[1-(1-ethylpyrazol-4-yl)ethylamino]-2,2-difluoropropyl]carbamate
CID 104955560
3,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 50986491
2-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 142350592
tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate
CID 107247367
tert-butyl N-[2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate
CID 104955582
tert-butyl N-[3-[1-(3-chlorophenyl)ethylamino]-2,2-difluoropropyl]carbamate
CID 107257333
tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2,2-difluoropropyl]carbamate
CID 107257458
tert-butyl N-[1-(hexan-2-ylamino)-2-methylpropan-2-yl]carbamate
CID 103788233
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(butan-2-ylamino)-2,2-difluoropropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(butan-2-ylamino)-2,2-difluoropropyl]carbamate (CID 104955597) is tert-butyl N-[3-(butan-2-ylamino)-2,2-difluoropropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(butan-2-ylamino)-2,2-difluoropropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(butan-2-ylamino)-2,2-difluoropropyl]carbamate is CCC(C)NCC(F)(F)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(butan-2-ylamino)-2,2-difluoropropyl]carbamate?
The InChIKey is PNOVMSWYFYUJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2O2/c1-6-9(2)15-7-12(13,14)8-16-10(17)18-11(3,4)5/h9,15H,6-8H2,1-5H3,(H,16,17).
What are the key properties of tert-butyl N-[3-(butan-2-ylamino)-2,2-difluoropropyl]carbamate?
tert-butyl N-[3-(butan-2-ylamino)-2,2-difluoropropyl]carbamate has a molecular weight of 266.33 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(butan-2-ylamino)-2,2-difluoropropyl]carbamate is sourced from PubChem (CID 104955597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).