1-(2,2-difluorocyclopropyl)-3-propan-2-ylurea

C7H12F2N2O — CID 121429580

IUPAC1-(2,2-difluorocyclopropyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CC1(F)F
InChIInChI=1S/C7H12F2N2O/c1-4(2)10-6(12)11-5-3-7(5,8)9/h4-5H,3H2,1-2H3,(H2,10,11,12)
InChIKeyBHFSCZGGNVBOIQ-UHFFFAOYSA-N
MW178.18 g/mol
LogP1.10
Rot. Bonds2

About 1-(2,2-difluorocyclopropyl)-3-propan-2-ylurea

1-(2,2-difluorocyclopropyl)-3-propan-2-ylurea (PubChem CID 121429580) has the molecular formula C7H12F2N2O and a molecular weight of 178.18 g/mol. Its IUPAC name is 1-(2,2-difluorocyclopropyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2,2-difluorocyclopropyl)-3-propan-2-ylurea
PubChem CID121429580
Molecular FormulaC7H12F2N2O
Molecular Weight178.18 g/mol
Exact Mass178.09
IUPAC Name1-(2,2-difluorocyclopropyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CC1(F)F
InChIInChI=1S/C7H12F2N2O/c1-4(2)10-6(12)11-5-3-7(5,8)9/h4-5H,3H2,1-2H3,(H2,10,11,12)
InChIKeyBHFSCZGGNVBOIQ-UHFFFAOYSA-N
XLogP1.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorocyclopropyl)-3-propan-2-ylurea?
The IUPAC name of 1-(2,2-difluorocyclopropyl)-3-propan-2-ylurea (CID 121429580) is 1-(2,2-difluorocyclopropyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2,2-difluorocyclopropyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2,2-difluorocyclopropyl)-3-propan-2-ylurea is CC(C)NC(=O)NC1CC1(F)F.
What is the InChIKey of 1-(2,2-difluorocyclopropyl)-3-propan-2-ylurea?
The InChIKey is BHFSCZGGNVBOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O/c1-4(2)10-6(12)11-5-3-7(5,8)9/h4-5H,3H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-(2,2-difluorocyclopropyl)-3-propan-2-ylurea?
1-(2,2-difluorocyclopropyl)-3-propan-2-ylurea has a molecular weight of 178.18 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorocyclopropyl)-3-propan-2-ylurea is sourced from PubChem (CID 121429580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).