tert-butyl N-(4-amino-1,1-difluorobutan-2-yl)carbamate

C9H18F2N2O2 — CID 105481710

IUPACtert-butyl N-(4-amino-1,1-difluorobutan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CCN)C(F)F
InChIInChI=1S/C9H18F2N2O2/c1-9(2,3)15-8(14)13-6(4-5-12)7(10)11/h6-7H,4-5,12H2,1-3H3,(H,13,14)
InChIKeyUUYRNVXZKYRAKC-UHFFFAOYSA-N
MW224.25 g/mol
LogP1.49
Rot. Bonds4

About tert-butyl N-(4-amino-1,1-difluorobutan-2-yl)carbamate

tert-butyl N-(4-amino-1,1-difluorobutan-2-yl)carbamate (PubChem CID 105481710) has the molecular formula C9H18F2N2O2 and a molecular weight of 224.25 g/mol. Its IUPAC name is tert-butyl N-(4-amino-1,1-difluorobutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-amino-1,1-difluorobutan-2-yl)carbamate
PubChem CID105481710
Molecular FormulaC9H18F2N2O2
Molecular Weight224.25 g/mol
Exact Mass224.13
IUPAC Nametert-butyl N-(4-amino-1,1-difluorobutan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CCN)C(F)F
InChIInChI=1S/C9H18F2N2O2/c1-9(2,3)15-8(14)13-6(4-5-12)7(10)11/h6-7H,4-5,12H2,1-3H3,(H,13,14)
InChIKeyUUYRNVXZKYRAKC-UHFFFAOYSA-N
XLogP1.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(4-aminobutyl)carbamate
CID 4351
tert-Butyl (3-aminopropyl)carbamate
CID 2735700
rac-tert-butyl N-((1r,3r)-3-aminocyclobutyl)carbamate
CID 16228707
tert-butyl N-(1-aminobutan-2-yl)carbamate
CID 14769741
Tert-butyl 4-[(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
CID 39870957
tert-butyl N-(3-(methylamino)propyl)carbamate
CID 11309987
tert-Butyl (4-(methylamino)butyl)carbamate
CID 20709354
tert-butyl N-[(2S)-4-aminobutan-2-yl]carbamate
CID 22831860
rac-tert-butyl N-((3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl)carbamate
CID 22867702
Tert-butyl 5-(trifluoromethyl)-1,4-diazepane-1-carboxylate
CID 43209410
tert-Butyl (3-aminobutyl)carbamate
CID 45072485
tert-butyl N-(3-amino-3-methylbutyl)carbamate
CID 45072486

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-amino-1,1-difluorobutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-amino-1,1-difluorobutan-2-yl)carbamate (CID 105481710) is tert-butyl N-(4-amino-1,1-difluorobutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-amino-1,1-difluorobutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-amino-1,1-difluorobutan-2-yl)carbamate is CC(C)(C)OC(=O)NC(CCN)C(F)F.
What is the InChIKey of tert-butyl N-(4-amino-1,1-difluorobutan-2-yl)carbamate?
The InChIKey is UUYRNVXZKYRAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2/c1-9(2,3)15-8(14)13-6(4-5-12)7(10)11/h6-7H,4-5,12H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(4-amino-1,1-difluorobutan-2-yl)carbamate?
tert-butyl N-(4-amino-1,1-difluorobutan-2-yl)carbamate has a molecular weight of 224.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-amino-1,1-difluorobutan-2-yl)carbamate is sourced from PubChem (CID 105481710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).