1-(2,2-difluoroethyl)-3-(2-methylcyclopropyl)-1-propylurea

C10H18F2N2O — CID 56825419

IUPAC1-(2,2-difluoroethyl)-3-(2-methylcyclopropyl)-1-propylurea
SMILESCCCN(CC(F)F)C(=O)NC1CC1C
InChIInChI=1S/C10H18F2N2O/c1-3-4-14(6-9(11)12)10(15)13-8-5-7(8)2/h7-9H,3-6H2,1-2H3,(H,13,15)
InChIKeyJFYPROAWMPWVIG-UHFFFAOYSA-N
MW220.26 g/mol
LogP2.08
Rot. Bonds5

About 1-(2,2-difluoroethyl)-3-(2-methylcyclopropyl)-1-propylurea

1-(2,2-difluoroethyl)-3-(2-methylcyclopropyl)-1-propylurea (PubChem CID 56825419) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-(2-methylcyclopropyl)-1-propylurea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-(2-methylcyclopropyl)-1-propylurea
PubChem CID56825419
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name1-(2,2-difluoroethyl)-3-(2-methylcyclopropyl)-1-propylurea
SMILESCCCN(CC(F)F)C(=O)NC1CC1C
InChIInChI=1S/C10H18F2N2O/c1-3-4-14(6-9(11)12)10(15)13-8-5-7(8)2/h7-9H,3-6H2,1-2H3,(H,13,15)
InChIKeyJFYPROAWMPWVIG-UHFFFAOYSA-N
XLogP2.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Cyclopropyl-1-(3-methylpentan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 53596548
3-(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)-1,1-bis(2-methylpropyl)urea
CID 3433139
1-Propan-2-yl-3-[1-(trifluoromethyl)cyclopropyl]urea
CID 57846657
1-Butyl-1-ethyl-3-(2,2,2-trifluoroethyl)urea
CID 78891445
1-Tert-butyl-3-(2,2-difluorobutyl)urea
CID 88582203
1-(Cyclopropylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115578521
1-(2-Fluoro-2-methylcyclopropyl)-3-propan-2-ylurea
CID 118330200
1-(2,2-Difluorocyclopropyl)-3-methylurea
CID 118332583
1-(2,2-Difluorocyclopropyl)-3-propan-2-ylurea
CID 121429580
1-(2,2-Difluorocyclopropyl)-3-ethylurea
CID 146238567
1-[(2R)-3-methylbutan-2-yl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea
CID 164555572
3,3-difluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 164555892

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-(2-methylcyclopropyl)-1-propylurea?
The IUPAC name of 1-(2,2-difluoroethyl)-3-(2-methylcyclopropyl)-1-propylurea (CID 56825419) is 1-(2,2-difluoroethyl)-3-(2-methylcyclopropyl)-1-propylurea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-(2-methylcyclopropyl)-1-propylurea?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-(2-methylcyclopropyl)-1-propylurea is CCCN(CC(F)F)C(=O)NC1CC1C.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-(2-methylcyclopropyl)-1-propylurea?
The InChIKey is JFYPROAWMPWVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-3-4-14(6-9(11)12)10(15)13-8-5-7(8)2/h7-9H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 1-(2,2-difluoroethyl)-3-(2-methylcyclopropyl)-1-propylurea?
1-(2,2-difluoroethyl)-3-(2-methylcyclopropyl)-1-propylurea has a molecular weight of 220.26 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-(2-methylcyclopropyl)-1-propylurea is sourced from PubChem (CID 56825419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).