N-(carbamoylcarbamoyl)carbamoyl fluoride

C3H4FN3O3 — CID 22166147

IUPACN-(carbamoylcarbamoyl)carbamoyl fluoride
SMILESNC(=O)NC(=O)NC(=O)F
InChIInChI=1S/C3H4FN3O3/c4-1(8)6-3(10)7-2(5)9/h(H4,5,6,7,8,9,10)
InChIKeyQTITTYKBNSULLO-UHFFFAOYSA-N
MW149.08 g/mol
LogP-0.55
Rot. Bonds

About N-(carbamoylcarbamoyl)carbamoyl fluoride

N-(carbamoylcarbamoyl)carbamoyl fluoride (PubChem CID 22166147) has the molecular formula C3H4FN3O3 and a molecular weight of 149.08 g/mol. Its IUPAC name is N-(carbamoylcarbamoyl)carbamoyl fluoride.

Molecular Properties

Compound NameN-(carbamoylcarbamoyl)carbamoyl fluoride
PubChem CID22166147
Molecular FormulaC3H4FN3O3
Molecular Weight149.08 g/mol
Exact Mass149.02
IUPAC NameN-(carbamoylcarbamoyl)carbamoyl fluoride
SMILESNC(=O)NC(=O)NC(=O)F
InChIInChI=1S/C3H4FN3O3/c4-1(8)6-3(10)7-2(5)9/h(H4,5,6,7,8,9,10)
InChIKeyQTITTYKBNSULLO-UHFFFAOYSA-N
XLogP-0.55
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.08
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1-carbamothioyl-3-carbamoylurea
CID 57033303
carbamoylurea;fluoroform
CID 174631914
1-aminosulfanyl-3-carbamoylurea
CID 87475269
sodium;1-bromo-3-carbamoylurea;hydride
CID 174408388
1-carbamoyl-3-(dihydroxyamino)urea
CID 3930640
1-carbamoyl-3-(1,1,2,2,2-pentafluoroethylsulfonyl)urea
CID 174550629
(carbamoylamino) N-carbamoylcarbamate
CID 57474139
carbamoylurea;copper;thiourea
CID 175029091
CID 118590953
CID 118590953
carbamoylcarbamic acid;carbamoylurea
CID 15920414
N-fluorocarbamoyl fluoride
CID 86244682
carbamoyl fluoride;hydrochloride
CID 175206669

Frequently Asked Questions

What is the IUPAC name of N-(carbamoylcarbamoyl)carbamoyl fluoride?
The IUPAC name of N-(carbamoylcarbamoyl)carbamoyl fluoride (CID 22166147) is N-(carbamoylcarbamoyl)carbamoyl fluoride.
What is the SMILES notation for N-(carbamoylcarbamoyl)carbamoyl fluoride?
The canonical SMILES for N-(carbamoylcarbamoyl)carbamoyl fluoride is NC(=O)NC(=O)NC(=O)F.
What is the InChIKey of N-(carbamoylcarbamoyl)carbamoyl fluoride?
The InChIKey is QTITTYKBNSULLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4FN3O3/c4-1(8)6-3(10)7-2(5)9/h(H4,5,6,7,8,9,10).
What are the key properties of N-(carbamoylcarbamoyl)carbamoyl fluoride?
N-(carbamoylcarbamoyl)carbamoyl fluoride has a molecular weight of 149.08 g/mol, XLogP of -0.55, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(carbamoylcarbamoyl)carbamoyl fluoride is sourced from PubChem (CID 22166147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).