N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]carbamoyl fluoride

C11H15F7N4O3 — CID 58883041

IUPACN-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]carbamoyl fluoride
SMILESO=C(F)NCCN(CCNC(=O)C(F)(F)F)CCNC(=O)C(F)(F)F
InChIInChI=1S/C11H15F7N4O3/c12-9(25)21-3-6-22(4-1-19-7(23)10(13,14)15)5-2-20-8(24)11(16,17)18/h1-6H2,(H,19,23)(H,20,24)(H,21,25)
InChIKeyDWANMIAJUHDVAL-UHFFFAOYSA-N
MW384.25 g/mol
LogP0.32
Rot. Bonds9

About N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]carbamoyl fluoride

N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]carbamoyl fluoride (PubChem CID 58883041) has the molecular formula C11H15F7N4O3 and a molecular weight of 384.25 g/mol. Its IUPAC name is N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]carbamoyl fluoride.

Molecular Properties

Compound NameN-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]carbamoyl fluoride
PubChem CID58883041
Molecular FormulaC11H15F7N4O3
Molecular Weight384.25 g/mol
Exact Mass384.10
IUPAC NameN-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]carbamoyl fluoride
SMILESO=C(F)NCCN(CCNC(=O)C(F)(F)F)CCNC(=O)C(F)(F)F
InChIInChI=1S/C11H15F7N4O3/c12-9(25)21-3-6-22(4-1-19-7(23)10(13,14)15)5-2-20-8(24)11(16,17)18/h1-6H2,(H,19,23)(H,20,24)(H,21,25)
InChIKeyDWANMIAJUHDVAL-UHFFFAOYSA-N
XLogP0.32
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.25
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2,2,2-trifluoroacetamide
CID 229755
N1,N2-(2-(2,2,2-Trifluoroacetamido)ethyl)ethane-1,2-diaminium Trifluoroacetate
CID 15938557
2,2,2-trifluoro-N-{2-[(trifluoroacetyl)amino]ethyl}acetamide
CID 229756
1,2-Diaminoethane, N,N'-bis(pentafluoropropionyl)
CID 600476
N,N',N''-(2,2',2''-Nitrilotriethyl)tris(2,2,2-trifluoroacetamide)
CID 3640837
N-(2-aminoethyl)-2,2-difluoroacetamide hydrochloride
CID 44592974
N1,N3-bis(2-(2,2,2-trifluoroacetamido)ethyl)-propane-1,3-diaminium trifluoroacetate
CID 46899573
2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
CID 388778
1,4,8-Tris(trifluoroacetyl)-1,4,8,11-tetraazacyclotetradecane
CID 11431771
2,2,2-trifluoro-N-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethyl]acetamide
CID 4216151
N-[2-(2,2-difluoroacetamido)ethyl]-2,2-difluoroacetamide
CID 2168339
2,2,2-trifluoro-N-[2-(methylamino)ethyl]acetamide
CID 10702284

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]carbamoyl fluoride?
The IUPAC name of N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]carbamoyl fluoride (CID 58883041) is N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]carbamoyl fluoride.
What is the SMILES notation for N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]carbamoyl fluoride?
The canonical SMILES for N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]carbamoyl fluoride is O=C(F)NCCN(CCNC(=O)C(F)(F)F)CCNC(=O)C(F)(F)F.
What is the InChIKey of N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]carbamoyl fluoride?
The InChIKey is DWANMIAJUHDVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F7N4O3/c12-9(25)21-3-6-22(4-1-19-7(23)10(13,14)15)5-2-20-8(24)11(16,17)18/h1-6H2,(H,19,23)(H,20,24)(H,21,25).
What are the key properties of N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]carbamoyl fluoride?
N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]carbamoyl fluoride has a molecular weight of 384.25 g/mol, XLogP of 0.32, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]carbamoyl fluoride is sourced from PubChem (CID 58883041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).