2-chloro-4-(2,2-difluoroethoxy)thieno[2,3-d]pyrimidine

C8H5ClF2N2OS — CID 103320209

IUPAC2-chloro-4-(2,2-difluoroethoxy)thieno[2,3-d]pyrimidine
SMILESFC(F)COc1nc(Cl)nc2sccc12
InChIInChI=1S/C8H5ClF2N2OS/c9-8-12-6(14-3-5(10)11)4-1-2-15-7(4)13-8/h1-2,5H,3H2
InChIKeyUUQSBVAMZSWCQR-UHFFFAOYSA-N
MW250.66 g/mol
LogP2.99
Rot. Bonds3

About 2-chloro-4-(2,2-difluoroethoxy)thieno[2,3-d]pyrimidine

2-chloro-4-(2,2-difluoroethoxy)thieno[2,3-d]pyrimidine (PubChem CID 103320209) has the molecular formula C8H5ClF2N2OS and a molecular weight of 250.66 g/mol. Its IUPAC name is 2-chloro-4-(2,2-difluoroethoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2,2-difluoroethoxy)thieno[2,3-d]pyrimidine
PubChem CID103320209
Molecular FormulaC8H5ClF2N2OS
Molecular Weight250.66 g/mol
Exact Mass249.98
IUPAC Name2-chloro-4-(2,2-difluoroethoxy)thieno[2,3-d]pyrimidine
SMILESFC(F)COc1nc(Cl)nc2sccc12
InChIInChI=1S/C8H5ClF2N2OS/c9-8-12-6(14-3-5(10)11)4-1-2-15-7(4)13-8/h1-2,5H,3H2
InChIKeyUUQSBVAMZSWCQR-UHFFFAOYSA-N
XLogP2.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-ethoxythieno[2,3-d]pyrimidine
CID 103319715
2-chloro-4-(2-ethoxyethoxy)thieno[2,3-d]pyrimidine
CID 103319718
2-chloro-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine
CID 103319903
2-chloro-4-(oxan-2-ylmethoxy)thieno[2,3-d]pyrimidine
CID 103319749
4-(2-methylpropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331483
2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)thieno[2,3-d]pyrimidine
CID 103320173
2-chloro-4-(2,6-dimethoxyphenoxy)thieno[2,3-d]pyrimidine
CID 103319866
4-(5-bromo-2,3-difluorophenoxy)-2-chlorothieno[2,3-d]pyrimidine
CID 107098065
4-(2-bromo-4-methylphenoxy)-2-chlorothieno[2,3-d]pyrimidine
CID 103319776
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 103320619
2-(2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile
CID 103320002
2,4-diethoxythieno[2,3-d]pyrimidine
CID 119087931

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,2-difluoroethoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(2,2-difluoroethoxy)thieno[2,3-d]pyrimidine (CID 103320209) is 2-chloro-4-(2,2-difluoroethoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(2,2-difluoroethoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(2,2-difluoroethoxy)thieno[2,3-d]pyrimidine is FC(F)COc1nc(Cl)nc2sccc12.
What is the InChIKey of 2-chloro-4-(2,2-difluoroethoxy)thieno[2,3-d]pyrimidine?
The InChIKey is UUQSBVAMZSWCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2OS/c9-8-12-6(14-3-5(10)11)4-1-2-15-7(4)13-8/h1-2,5H,3H2.
What are the key properties of 2-chloro-4-(2,2-difluoroethoxy)thieno[2,3-d]pyrimidine?
2-chloro-4-(2,2-difluoroethoxy)thieno[2,3-d]pyrimidine has a molecular weight of 250.66 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,2-difluoroethoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 103320209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).