1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea

C8H15FN2O — CID 118330200

IUPAC1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CC1(C)F
InChIInChI=1S/C8H15FN2O/c1-5(2)10-7(12)11-6-4-8(6,3)9/h5-6H,4H2,1-3H3,(H2,10,11,12)
InChIKeySOXIMXNVISOFMG-UHFFFAOYSA-N
MW174.22 g/mol
LogP1.19
Rot. Bonds2

About 1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea

1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea (PubChem CID 118330200) has the molecular formula C8H15FN2O and a molecular weight of 174.22 g/mol. Its IUPAC name is 1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea
PubChem CID118330200
Molecular FormulaC8H15FN2O
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Name1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CC1(C)F
InChIInChI=1S/C8H15FN2O/c1-5(2)10-7(12)11-6-4-8(6,3)9/h5-6H,4H2,1-3H3,(H2,10,11,12)
InChIKeySOXIMXNVISOFMG-UHFFFAOYSA-N
XLogP1.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-fluoro-2-methylcyclopropyl)-2,2-dimethylpropanamide
CID 159740095
(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate
CID 118330233
1-[(3,3-difluorocyclobutyl)methyl]-3-propan-2-ylurea
CID 130758492
(1R)-2,2-difluoro-N-propan-2-ylcyclopropane-1-carboxamide
CID 167134960
1-(2,3-dimethylcyclobutyl)-3-propan-2-ylurea
CID 131113753
(2R)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755976
2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)carbamoylamino]acetic acid
CID 62711233
1-(2-methylcycloheptyl)-3-propan-2-ylurea
CID 115660988
1-fluoro-N-propan-2-ylcyclopropane-1-carboxamide
CID 149339132
3-cyclopropyl-3-[(2,2-dimethylcyclopropyl)carbamoylamino]propanoic acid
CID 82003269
cyclopentane;propan-2-ylcarbamic acid
CID 169143516
1-(1-cyclobutylethyl)-3-cyclopropylurea
CID 115766433

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea?
The IUPAC name of 1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea (CID 118330200) is 1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea is CC(C)NC(=O)NC1CC1(C)F.
What is the InChIKey of 1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea?
The InChIKey is SOXIMXNVISOFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O/c1-5(2)10-7(12)11-6-4-8(6,3)9/h5-6H,4H2,1-3H3,(H2,10,11,12).
What are the key properties of 1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea?
1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea has a molecular weight of 174.22 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea is sourced from PubChem (CID 118330200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).