4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydroquinazoline

C10H12F2N2O — CID 126954579

IUPAC4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydroquinazoline
SMILESFC(F)COc1ncnc2c1CCCC2
InChIInChI=1S/C10H12F2N2O/c11-9(12)5-15-10-7-3-1-2-4-8(7)13-6-14-10/h6,9H,1-5H2
InChIKeyAQLNBKHHNJGAMF-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.00
Rot. Bonds3

About 4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydroquinazoline

4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydroquinazoline (PubChem CID 126954579) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydroquinazoline
PubChem CID126954579
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydroquinazoline
SMILESFC(F)COc1ncnc2c1CCCC2
InChIInChI=1S/C10H12F2N2O/c11-9(12)5-15-10-7-3-1-2-4-8(7)13-6-14-10/h6,9H,1-5H2
InChIKeyAQLNBKHHNJGAMF-UHFFFAOYSA-N
XLogP2.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
CID 22943724
4-Methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 58115651
4-But-2-ynoxy-5-fluoro-6-(3-methylcyclohexyl)pyrimidine
CID 86001386
5-Fluoro-4-(3-methylcyclohexyl)-6-pent-2-ynoxypyrimidine
CID 86001387
4-[4-(2-Cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexyl]oxy-5,6,7,8-tetrahydroquinazoline
CID 88308484
4-But-2-ynoxy-5-fluoro-6-propan-2-ylpyrimidine
CID 90716026
[4-Cyclopropyl-6-(2-fluoroethoxy)pyrimidin-5-yl]boronic acid
CID 146992522
4-Cyclopropyl-6-(2-fluoroethoxy)-5-methylpyrimidine
CID 148058715
4-Cyclopropyl-6-(difluoromethoxy)-5-methylpyrimidine
CID 148362947
5-Tert-butyl-4-cyclopropyl-6-(difluoromethoxy)pyrimidine
CID 156289912
5-Tert-butyl-4-cyclopropyl-6-(2-fluoroethoxy)pyrimidine
CID 156289915
4-Cyclopropyl-6-(difluoromethoxy)-5-ethylpyrimidine
CID 156289996

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydroquinazoline (CID 126954579) is 4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydroquinazoline is FC(F)COc1ncnc2c1CCCC2.
What is the InChIKey of 4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is AQLNBKHHNJGAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c11-9(12)5-15-10-7-3-1-2-4-8(7)13-6-14-10/h6,9H,1-5H2.
What are the key properties of 4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydroquinazoline?
4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 214.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 126954579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).