2-(2,2,2-trifluoroethoxy)quinazoline;hydrochloride

C10H8ClF3N2O — CID 141036711

IUPAC2-(2,2,2-trifluoroethoxy)quinazoline;hydrochloride
SMILESCl.FC(F)(F)COc1ncc2ccccc2n1
InChIInChI=1S/C10H7F3N2O.ClH/c11-10(12,13)6-16-9-14-5-7-3-1-2-4-8(7)15-9;/h1-5H,6H2;1H
InChIKeyOLQKJJPOMDGDHR-UHFFFAOYSA-N
MW264.63 g/mol
LogP2.99
Rot. Bonds2

About 2-(2,2,2-trifluoroethoxy)quinazoline;hydrochloride

2-(2,2,2-trifluoroethoxy)quinazoline;hydrochloride (PubChem CID 141036711) has the molecular formula C10H8ClF3N2O and a molecular weight of 264.63 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)quinazoline;hydrochloride.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)quinazoline;hydrochloride
PubChem CID141036711
Molecular FormulaC10H8ClF3N2O
Molecular Weight264.63 g/mol
Exact Mass264.03
IUPAC Name2-(2,2,2-trifluoroethoxy)quinazoline;hydrochloride
SMILESCl.FC(F)(F)COc1ncc2ccccc2n1
InChIInChI=1S/C10H7F3N2O.ClH/c11-10(12,13)6-16-9-14-5-7-3-1-2-4-8(7)15-9;/h1-5H,6H2;1H
InChIKeyOLQKJJPOMDGDHR-UHFFFAOYSA-N
XLogP2.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.63
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxyquinazoline
CID 594801
2-[2-(2-chlorophenoxy)ethoxy]quinazoline
CID 23196609
1-(quinazolin-2-yloxymethyl)cyclopentan-1-amine
CID 114789733
2-[2-(2-methylphenyl)ethoxy]quinazoline
CID 23196561
2-ethylquinazoline;hydrochloride
CID 153374561
2-(2,2,2-trifluoroethoxy)pyrimidin-5-amine
CID 61146447
CID 88543668
CID 88543668
1-N,2-N-bis[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]benzene-1,2-diamine
CID 2826886
2-[2-(trifluoromethyl)phenyl]quinazoline
CID 67571901
2-[(1-methylpiperidin-4-yl)methoxy]quinazoline
CID 70217208
2-(2,2,2-trifluoroethoxy)naphthalene
CID 21269180
N'-hydroxy-2-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide
CID 77025099

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)quinazoline;hydrochloride?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)quinazoline;hydrochloride (CID 141036711) is 2-(2,2,2-trifluoroethoxy)quinazoline;hydrochloride.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)quinazoline;hydrochloride?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)quinazoline;hydrochloride is Cl.FC(F)(F)COc1ncc2ccccc2n1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)quinazoline;hydrochloride?
The InChIKey is OLQKJJPOMDGDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O.ClH/c11-10(12,13)6-16-9-14-5-7-3-1-2-4-8(7)15-9;/h1-5H,6H2;1H.
What are the key properties of 2-(2,2,2-trifluoroethoxy)quinazoline;hydrochloride?
2-(2,2,2-trifluoroethoxy)quinazoline;hydrochloride has a molecular weight of 264.63 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)quinazoline;hydrochloride is sourced from PubChem (CID 141036711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).