2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline

C16H10F6N2 — CID 12520996

IUPAC2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline
SMILESFC(F)(F)C1(C(F)(F)F)N=C(c2ccccc2)Nc2ccccc21
InChIInChI=1S/C16H10F6N2/c17-15(18,19)14(16(20,21)22)11-8-4-5-9-12(11)23-13(24-14)10-6-2-1-3-7-10/h1-9H,(H,23,24)
InChIKeyPUQJWVPYPCGCMT-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.88
Rot. Bonds1

About 2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline

2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline (PubChem CID 12520996) has the molecular formula C16H10F6N2 and a molecular weight of 344.26 g/mol. Its IUPAC name is 2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline.

Molecular Properties

Compound Name2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline
PubChem CID12520996
Molecular FormulaC16H10F6N2
Molecular Weight344.26 g/mol
Exact Mass344.07
IUPAC Name2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline
SMILESFC(F)(F)C1(C(F)(F)F)N=C(c2ccccc2)Nc2ccccc21
InChIInChI=1S/C16H10F6N2/c17-15(18,19)14(16(20,21)22)11-8-4-5-9-12(11)23-13(24-14)10-6-2-1-3-7-10/h1-9H,(H,23,24)
InChIKeyPUQJWVPYPCGCMT-UHFFFAOYSA-N
XLogP4.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline?
The IUPAC name of 2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline (CID 12520996) is 2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline.
What is the SMILES notation for 2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline?
The canonical SMILES for 2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline is FC(F)(F)C1(C(F)(F)F)N=C(c2ccccc2)Nc2ccccc21.
What is the InChIKey of 2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline?
The InChIKey is PUQJWVPYPCGCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N2/c17-15(18,19)14(16(20,21)22)11-8-4-5-9-12(11)23-13(24-14)10-6-2-1-3-7-10/h1-9H,(H,23,24).
What are the key properties of 2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline?
2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline has a molecular weight of 344.26 g/mol, XLogP of 4.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline is sourced from PubChem (CID 12520996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).