tert-butyl N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]carbamate

C14H16F4N2O4 — CID 6905642

IUPACtert-butyl N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]carbamate
SMILESCC(C)(C)OC(=O)N/N=C/c1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C14H16F4N2O4/c1-14(2,3)24-13(21)20-19-7-8-4-5-9(22-11(15)16)6-10(8)23-12(17)18/h4-7,11-12H,1-3H3,(H,20,21)/b19-7+
InChIKeyRKAKYLAVMBPNPX-FBCYGCLPSA-N
MW352.28 g/mol
LogP3.75
Rot. Bonds6

About tert-butyl N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]carbamate

tert-butyl N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]carbamate (PubChem CID 6905642) has the molecular formula C14H16F4N2O4 and a molecular weight of 352.28 g/mol. Its IUPAC name is tert-butyl N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]carbamate
PubChem CID6905642
Molecular FormulaC14H16F4N2O4
Molecular Weight352.28 g/mol
Exact Mass352.10
IUPAC Nametert-butyl N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]carbamate
SMILESCC(C)(C)OC(=O)N/N=C/c1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C14H16F4N2O4/c1-14(2,3)24-13(21)20-19-7-8-4-5-9(22-11(15)16)6-10(8)23-12(17)18/h4-7,11-12H,1-3H3,(H,20,21)/b19-7+
InChIKeyRKAKYLAVMBPNPX-FBCYGCLPSA-N
XLogP3.75
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]carbamate
CID 6905460
tert-butyl N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]carbamate
CID 9074714
1-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-(2-methylphenyl)thiourea
CID 7933567
tert-butyl N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]carbamate
CID 6909993
tert-butyl N-[(5-bromo-2-fluorophenyl)methylideneamino]carbamate
CID 4564535
2,4-bis(difluoromethoxy)benzaldehyde
CID 4218025
tert-butyl N-[(E)-(3,5-difluorophenyl)methylideneamino]carbamate
CID 59016011
tert-butyl N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]carbamate
CID 136898949
tert-butyl N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]carbamate
CID 9074646
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461
N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 2594194
methyl N-[(Z)-1-[2,4-bis(difluoromethoxy)phenyl]ethylideneamino]carbamate
CID 6168777

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]carbamate?
The IUPAC name of tert-butyl N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]carbamate (CID 6905642) is tert-butyl N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]carbamate?
The canonical SMILES for tert-butyl N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]carbamate is CC(C)(C)OC(=O)N/N=C/c1ccc(OC(F)F)cc1OC(F)F.
What is the InChIKey of tert-butyl N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]carbamate?
The InChIKey is RKAKYLAVMBPNPX-FBCYGCLPSA-N. The full InChI is InChI=1S/C14H16F4N2O4/c1-14(2,3)24-13(21)20-19-7-8-4-5-9(22-11(15)16)6-10(8)23-12(17)18/h4-7,11-12H,1-3H3,(H,20,21)/b19-7+.
What are the key properties of tert-butyl N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]carbamate?
tert-butyl N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]carbamate has a molecular weight of 352.28 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]carbamate is sourced from PubChem (CID 6905642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).