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

C6H12F2N2O2 — CID 103734264

IUPAC1-(3,3-difluoro-2-hydroxypropyl)-3-ethylurea
SMILESCCNC(=O)NCC(O)C(F)F
InChIInChI=1S/C6H12F2N2O2/c1-2-9-6(12)10-3-4(11)5(7)8/h4-5,11H,2-3H2,1H3,(H2,9,10,12)
InChIKeyBDFSMHFYNLTYLM-UHFFFAOYSA-N
MW182.17 g/mol
LogP-0.07
Rot. Bonds4

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

1-(3,3-difluoro-2-hydroxypropyl)-3-ethylurea (PubChem CID 103734264) has the molecular formula C6H12F2N2O2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 1-(3,3-difluoro-2-hydroxypropyl)-3-ethylurea.

Molecular Properties

Compound Name1-(3,3-difluoro-2-hydroxypropyl)-3-ethylurea
PubChem CID103734264
Molecular FormulaC6H12F2N2O2
Molecular Weight182.17 g/mol
Exact Mass182.09
IUPAC Name1-(3,3-difluoro-2-hydroxypropyl)-3-ethylurea
SMILESCCNC(=O)NCC(O)C(F)F
InChIInChI=1S/C6H12F2N2O2/c1-2-9-6(12)10-3-4(11)5(7)8/h4-5,11H,2-3H2,1H3,(H2,9,10,12)
InChIKeyBDFSMHFYNLTYLM-UHFFFAOYSA-N
XLogP-0.07
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-difluoro-2-hydroxypropyl)-3-methylurea
CID 103734263
N-(3,3-difluoro-2-hydroxypropyl)-2-(ethylamino)acetamide
CID 103810605
methyl N-(3,3-difluoro-2-hydroxypropyl)carbamate
CID 103769673
1,3-diethylurea;ethane
CID 142885504
1-(3-amino-2-hydroxypropyl)-3-ethylurea
CID 131223085
1-(2-amino-3-hydroxybutyl)-3-ethylurea
CID 64541484
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103881719
3-(ethylcarbamoylamino)-2-methylpropanoic acid
CID 62674990
1,3-bis(2,3,3-trifluoropropyl)urea
CID 22005457
N-(3,3-difluoro-2-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide
CID 103770291
1-(dihydroxymethyl)-3-ethylurea
CID 141116762
N-(3,3-difluoro-2-hydroxypropyl)-3,3,3-trifluoropropanamide
CID 103770028

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-2-hydroxypropyl)-3-ethylurea?
The IUPAC name of 1-(3,3-difluoro-2-hydroxypropyl)-3-ethylurea (CID 103734264) is 1-(3,3-difluoro-2-hydroxypropyl)-3-ethylurea.
What is the SMILES notation for 1-(3,3-difluoro-2-hydroxypropyl)-3-ethylurea?
The canonical SMILES for 1-(3,3-difluoro-2-hydroxypropyl)-3-ethylurea is CCNC(=O)NCC(O)C(F)F.
What is the InChIKey of 1-(3,3-difluoro-2-hydroxypropyl)-3-ethylurea?
The InChIKey is BDFSMHFYNLTYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2/c1-2-9-6(12)10-3-4(11)5(7)8/h4-5,11H,2-3H2,1H3,(H2,9,10,12).
What are the key properties of 1-(3,3-difluoro-2-hydroxypropyl)-3-ethylurea?
1-(3,3-difluoro-2-hydroxypropyl)-3-ethylurea has a molecular weight of 182.17 g/mol, XLogP of -0.07, 4 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-ethylurea is sourced from PubChem (CID 103734264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).