1-amino-3-(2,2,3,3-tetrafluoropropyl)urea

C4H7F4N3O — CID 106295280

IUPAC1-amino-3-(2,2,3,3-tetrafluoropropyl)urea
SMILESNNC(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C4H7F4N3O/c5-2(6)4(7,8)1-10-3(12)11-9/h2H,1,9H2,(H2,10,11,12)
InChIKeyGDYVXWLOZQKJPE-UHFFFAOYSA-N
MW189.11 g/mol
LogP0.06
Rot. Bonds3

About 1-amino-3-(2,2,3,3-tetrafluoropropyl)urea

1-amino-3-(2,2,3,3-tetrafluoropropyl)urea (PubChem CID 106295280) has the molecular formula C4H7F4N3O and a molecular weight of 189.11 g/mol. Its IUPAC name is 1-amino-3-(2,2,3,3-tetrafluoropropyl)urea.

Molecular Properties

Compound Name1-amino-3-(2,2,3,3-tetrafluoropropyl)urea
PubChem CID106295280
Molecular FormulaC4H7F4N3O
Molecular Weight189.11 g/mol
Exact Mass189.05
IUPAC Name1-amino-3-(2,2,3,3-tetrafluoropropyl)urea
SMILESNNC(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C4H7F4N3O/c5-2(6)4(7,8)1-10-3(12)11-9/h2H,1,9H2,(H2,10,11,12)
InChIKeyGDYVXWLOZQKJPE-UHFFFAOYSA-N
XLogP0.06
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.11
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-Amino-3-(2,2,2-trifluoroethyl)urea
CID 43163995
1-Amino-3-(2,2-difluoroethyl)urea
CID 115408302
1-Amino-3-(3,3,3-trifluoropropyl)urea
CID 63227916
4-Trifluoroethyl semicarbazide hydrochloride
CID 86681562
1-(Methylamino)-3-(2,2,2-trifluoroethyl)urea;hydrochloride
CID 90317681
1-Amino-3-(1,2,2-trifluoroethyl)urea
CID 87278645
1-(Methylamino)-3-(2,2,2-trifluoroethyl)urea
CID 90317682
1-Amino-3-(4,4,4-trifluorobutan-2-yl)urea
CID 105936578
1-Amino-3-(4,4,4-trifluorobutyl)urea
CID 115521675
1-Amino-3-(5,5,5-trifluoropentyl)urea
CID 115521677
1-(Dimethylamino)-3-(2,2,2-trifluoroethyl)urea
CID 116657301
3-Amino-1-(2,2-difluoropropyl)urea
CID 164654621

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,2,3,3-tetrafluoropropyl)urea?
The IUPAC name of 1-amino-3-(2,2,3,3-tetrafluoropropyl)urea (CID 106295280) is 1-amino-3-(2,2,3,3-tetrafluoropropyl)urea.
What is the SMILES notation for 1-amino-3-(2,2,3,3-tetrafluoropropyl)urea?
The canonical SMILES for 1-amino-3-(2,2,3,3-tetrafluoropropyl)urea is NNC(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 1-amino-3-(2,2,3,3-tetrafluoropropyl)urea?
The InChIKey is GDYVXWLOZQKJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F4N3O/c5-2(6)4(7,8)1-10-3(12)11-9/h2H,1,9H2,(H2,10,11,12).
What are the key properties of 1-amino-3-(2,2,3,3-tetrafluoropropyl)urea?
1-amino-3-(2,2,3,3-tetrafluoropropyl)urea has a molecular weight of 189.11 g/mol, XLogP of 0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,2,3,3-tetrafluoropropyl)urea is sourced from PubChem (CID 106295280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).