1-(2,2-difluoroethyl)-3-prop-2-enylurea;hydrochloride

C6H11ClF2N2O — CID 131224415

IUPAC1-(2,2-difluoroethyl)-3-prop-2-enylurea;hydrochloride
SMILESC=CCNC(=O)NCC(F)F.Cl
InChIInChI=1S/C6H10F2N2O.ClH/c1-2-3-9-6(11)10-4-5(7)8;/h2,5H,1,3-4H2,(H2,9,10,11);1H
InChIKeyCAJZYUVCTFLVBX-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.16
Rot. Bonds4

About 1-(2,2-difluoroethyl)-3-prop-2-enylurea;hydrochloride

1-(2,2-difluoroethyl)-3-prop-2-enylurea;hydrochloride (PubChem CID 131224415) has the molecular formula C6H11ClF2N2O and a molecular weight of 200.62 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-prop-2-enylurea;hydrochloride.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-prop-2-enylurea;hydrochloride
PubChem CID131224415
Molecular FormulaC6H11ClF2N2O
Molecular Weight200.62 g/mol
Exact Mass200.05
IUPAC Name1-(2,2-difluoroethyl)-3-prop-2-enylurea;hydrochloride
SMILESC=CCNC(=O)NCC(F)F.Cl
InChIInChI=1S/C6H10F2N2O.ClH/c1-2-3-9-6(11)10-4-5(7)8;/h2,5H,1,3-4H2,(H2,9,10,11);1H
InChIKeyCAJZYUVCTFLVBX-UHFFFAOYSA-N
XLogP1.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 174433469
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1-(2-hydroxyethyl)-3-prop-2-enylurea
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2,2,2-trifluoro-N-(prop-2-enylcarbamoyl)acetamide
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N-(prop-2-enylcarbamoyl)formamide
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1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea
CID 47176500
1-(2,2-difluoroethyl)-3-prop-2-ynylurea
CID 126992022
1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea
CID 111427370
1-(2-hydroxy-2-thiophen-2-ylethyl)-3-prop-2-enylurea
CID 90500385
2-(prop-2-enylcarbamoylamino)propanediamide
CID 36507216
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
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CID 87414397

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-prop-2-enylurea;hydrochloride?
The IUPAC name of 1-(2,2-difluoroethyl)-3-prop-2-enylurea;hydrochloride (CID 131224415) is 1-(2,2-difluoroethyl)-3-prop-2-enylurea;hydrochloride.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-prop-2-enylurea;hydrochloride?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-prop-2-enylurea;hydrochloride is C=CCNC(=O)NCC(F)F.Cl.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-prop-2-enylurea;hydrochloride?
The InChIKey is CAJZYUVCTFLVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O.ClH/c1-2-3-9-6(11)10-4-5(7)8;/h2,5H,1,3-4H2,(H2,9,10,11);1H.
What are the key properties of 1-(2,2-difluoroethyl)-3-prop-2-enylurea;hydrochloride?
1-(2,2-difluoroethyl)-3-prop-2-enylurea;hydrochloride has a molecular weight of 200.62 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-prop-2-enylurea;hydrochloride is sourced from PubChem (CID 131224415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).