tert-butyl N-amino-N-(3,3-difluoro-2-phenylprop-2-enyl)carbamate

C14H18F2N2O2 — CID 102313747

IUPACtert-butyl N-amino-N-(3,3-difluoro-2-phenylprop-2-enyl)carbamate
SMILESCC(C)(C)OC(=O)N(N)CC(=C(F)F)c1ccccc1
InChIInChI=1S/C14H18F2N2O2/c1-14(2,3)20-13(19)18(17)9-11(12(15)16)10-7-5-4-6-8-10/h4-8H,9,17H2,1-3H3
InChIKeyRAEQKXRGIWBLKR-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.40
Rot. Bonds3

About tert-butyl N-amino-N-(3,3-difluoro-2-phenylprop-2-enyl)carbamate

tert-butyl N-amino-N-(3,3-difluoro-2-phenylprop-2-enyl)carbamate (PubChem CID 102313747) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is tert-butyl N-amino-N-(3,3-difluoro-2-phenylprop-2-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-amino-N-(3,3-difluoro-2-phenylprop-2-enyl)carbamate
PubChem CID102313747
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Nametert-butyl N-amino-N-(3,3-difluoro-2-phenylprop-2-enyl)carbamate
SMILESCC(C)(C)OC(=O)N(N)CC(=C(F)F)c1ccccc1
InChIInChI=1S/C14H18F2N2O2/c1-14(2,3)20-13(19)18(17)9-11(12(15)16)10-7-5-4-6-8-10/h4-8H,9,17H2,1-3H3
InChIKeyRAEQKXRGIWBLKR-UHFFFAOYSA-N
XLogP3.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-amino-N-(3,3-difluoro-2-phenylprop-2-enyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-amino-N-(2-amino-2-oxoethyl)carbamate
CID 46900001
tert-butyl N-benzoyl-N-(chloroamino)carbamate
CID 86607133
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate
CID 137320760
tert-butyl N-amino-N-[(2S)-2-amino-3-phenylpropanoyl]carbamate
CID 135391413
tert-butyl N-amino-N-[(2R)-2-amino-3-phenylpropanoyl]carbamate
CID 154179314
benzoic acid;tert-butyl acetate
CID 143820890
tert-butyl 2-[benzoyl(methyl)amino]acetate
CID 78991310
tert-butyl N-benzoyl-N-propan-2-ylcarbamate
CID 122205870
tert-butyl N-amino-N-[(4-hydroxyphenyl)methyl]carbamate
CID 151301292
CID 162139404
CID 162139404
tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate
CID 15514558
benzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 22623801

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-amino-N-(3,3-difluoro-2-phenylprop-2-enyl)carbamate?
The IUPAC name of tert-butyl N-amino-N-(3,3-difluoro-2-phenylprop-2-enyl)carbamate (CID 102313747) is tert-butyl N-amino-N-(3,3-difluoro-2-phenylprop-2-enyl)carbamate.
What is the SMILES notation for tert-butyl N-amino-N-(3,3-difluoro-2-phenylprop-2-enyl)carbamate?
The canonical SMILES for tert-butyl N-amino-N-(3,3-difluoro-2-phenylprop-2-enyl)carbamate is CC(C)(C)OC(=O)N(N)CC(=C(F)F)c1ccccc1.
What is the InChIKey of tert-butyl N-amino-N-(3,3-difluoro-2-phenylprop-2-enyl)carbamate?
The InChIKey is RAEQKXRGIWBLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-14(2,3)20-13(19)18(17)9-11(12(15)16)10-7-5-4-6-8-10/h4-8H,9,17H2,1-3H3.
What are the key properties of tert-butyl N-amino-N-(3,3-difluoro-2-phenylprop-2-enyl)carbamate?
tert-butyl N-amino-N-(3,3-difluoro-2-phenylprop-2-enyl)carbamate has a molecular weight of 284.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-amino-N-(3,3-difluoro-2-phenylprop-2-enyl)carbamate is sourced from PubChem (CID 102313747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).