1-(3,3-difluoro-2-hydroxypropyl)-3-methylurea

C5H10F2N2O2 — CID 103734263

IUPAC1-(3,3-difluoro-2-hydroxypropyl)-3-methylurea
SMILESCNC(=O)NCC(O)C(F)F
InChIInChI=1S/C5H10F2N2O2/c1-8-5(11)9-2-3(10)4(6)7/h3-4,10H,2H2,1H3,(H2,8,9,11)
InChIKeyFCMGXKGREGAHGV-UHFFFAOYSA-N
MW168.14 g/mol
LogP-0.46
Rot. Bonds3

About 1-(3,3-difluoro-2-hydroxypropyl)-3-methylurea

1-(3,3-difluoro-2-hydroxypropyl)-3-methylurea (PubChem CID 103734263) has the molecular formula C5H10F2N2O2 and a molecular weight of 168.14 g/mol. Its IUPAC name is 1-(3,3-difluoro-2-hydroxypropyl)-3-methylurea.

Molecular Properties

Compound Name1-(3,3-difluoro-2-hydroxypropyl)-3-methylurea
PubChem CID103734263
Molecular FormulaC5H10F2N2O2
Molecular Weight168.14 g/mol
Exact Mass168.07
IUPAC Name1-(3,3-difluoro-2-hydroxypropyl)-3-methylurea
SMILESCNC(=O)NCC(O)C(F)F
InChIInChI=1S/C5H10F2N2O2/c1-8-5(11)9-2-3(10)4(6)7/h3-4,10H,2H2,1H3,(H2,8,9,11)
InChIKeyFCMGXKGREGAHGV-UHFFFAOYSA-N
XLogP-0.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(3,3-difluoro-2-hydroxypropyl)-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,3-difluoro-2-hydroxypropyl)-3-ethylurea
CID 103734264
methyl N-(3,3-difluoro-2-hydroxypropyl)carbamate
CID 103769673
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103881719
N-(3,3-difluoro-2-hydroxypropyl)-2-(ethylamino)acetamide
CID 103810605
N-(3,3-difluoro-2-hydroxypropyl)-3,3,3-trifluoropropanamide
CID 103770028
N-(3,3-difluoro-2-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide
CID 103770162
N-(3,3-difluoro-2-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 103770032
1,3-bis(2,3,3-trifluoropropyl)urea
CID 22005457
N-(3,3-difluoro-2-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide
CID 103770291
N-(3,3-difluoro-2-hydroxypropyl)-2,4,6-trimethylbenzamide
CID 103867078
N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide
CID 103770174
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-methoxyphenyl)acetamide
CID 103770198

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-2-hydroxypropyl)-3-methylurea?
The IUPAC name of 1-(3,3-difluoro-2-hydroxypropyl)-3-methylurea (CID 103734263) is 1-(3,3-difluoro-2-hydroxypropyl)-3-methylurea.
What is the SMILES notation for 1-(3,3-difluoro-2-hydroxypropyl)-3-methylurea?
The canonical SMILES for 1-(3,3-difluoro-2-hydroxypropyl)-3-methylurea is CNC(=O)NCC(O)C(F)F.
What is the InChIKey of 1-(3,3-difluoro-2-hydroxypropyl)-3-methylurea?
The InChIKey is FCMGXKGREGAHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O2/c1-8-5(11)9-2-3(10)4(6)7/h3-4,10H,2H2,1H3,(H2,8,9,11).
What are the key properties of 1-(3,3-difluoro-2-hydroxypropyl)-3-methylurea?
1-(3,3-difluoro-2-hydroxypropyl)-3-methylurea has a molecular weight of 168.14 g/mol, XLogP of -0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-2-hydroxypropyl)-3-methylurea is sourced from PubChem (CID 103734263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).