1-(2,2-difluoro-3,3-dimethylbutyl)-3-thiophen-2-ylurea

C11H16F2N2OS — CID 58044673

IUPAC1-(2,2-difluoro-3,3-dimethylbutyl)-3-thiophen-2-ylurea
SMILESCC(C)(C)C(F)(F)CNC(=O)Nc1cccs1
InChIInChI=1S/C11H16F2N2OS/c1-10(2,3)11(12,13)7-14-9(16)15-8-5-4-6-17-8/h4-6H,7H2,1-3H3,(H2,14,15,16)
InChIKeyOMJYUNCXCMCCAC-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.55
Rot. Bonds3

About 1-(2,2-difluoro-3,3-dimethylbutyl)-3-thiophen-2-ylurea

1-(2,2-difluoro-3,3-dimethylbutyl)-3-thiophen-2-ylurea (PubChem CID 58044673) has the molecular formula C11H16F2N2OS and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-(2,2-difluoro-3,3-dimethylbutyl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(2,2-difluoro-3,3-dimethylbutyl)-3-thiophen-2-ylurea
PubChem CID58044673
Molecular FormulaC11H16F2N2OS
Molecular Weight262.32 g/mol
Exact Mass262.10
IUPAC Name1-(2,2-difluoro-3,3-dimethylbutyl)-3-thiophen-2-ylurea
SMILESCC(C)(C)C(F)(F)CNC(=O)Nc1cccs1
InChIInChI=1S/C11H16F2N2OS/c1-10(2,3)11(12,13)7-14-9(16)15-8-5-4-6-17-8/h4-6H,7H2,1-3H3,(H2,14,15,16)
InChIKeyOMJYUNCXCMCCAC-UHFFFAOYSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea
CID 129416771
1-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-thiophen-2-ylurea
CID 99872776
1-(2-hydroxypropyl)-3-thiophen-2-ylurea
CID 117235204
1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea
CID 71781951
1-[3-(dimethylamino)propyl]-3-thiophen-2-ylurea
CID 110706816
1-[3-(diethylamino)propyl]-3-thiophen-2-ylurea
CID 108889188
1-[(4-bromophenyl)methyl]-3-thiophen-2-ylurea
CID 108889261
1-[2-(tert-butyldiazenyl)propan-2-yl]-3-thiophen-2-ylurea
CID 21431297
trifluoromethyl N-thiophen-2-ylcarbamate
CID 13164378
1-(1-hydroxypropan-2-yl)-3-thiophen-2-ylurea
CID 131154153
4-amino-2,2-dimethyl-N-thiophen-2-ylbutanamide
CID 115156865
1-(2-hydroxy-2-phenylethyl)-3-thiophen-2-ylurea
CID 2812623

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-3,3-dimethylbutyl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(2,2-difluoro-3,3-dimethylbutyl)-3-thiophen-2-ylurea (CID 58044673) is 1-(2,2-difluoro-3,3-dimethylbutyl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(2,2-difluoro-3,3-dimethylbutyl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(2,2-difluoro-3,3-dimethylbutyl)-3-thiophen-2-ylurea is CC(C)(C)C(F)(F)CNC(=O)Nc1cccs1.
What is the InChIKey of 1-(2,2-difluoro-3,3-dimethylbutyl)-3-thiophen-2-ylurea?
The InChIKey is OMJYUNCXCMCCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2OS/c1-10(2,3)11(12,13)7-14-9(16)15-8-5-4-6-17-8/h4-6H,7H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-(2,2-difluoro-3,3-dimethylbutyl)-3-thiophen-2-ylurea?
1-(2,2-difluoro-3,3-dimethylbutyl)-3-thiophen-2-ylurea has a molecular weight of 262.32 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-3,3-dimethylbutyl)-3-thiophen-2-ylurea is sourced from PubChem (CID 58044673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).