4-chloro-2-(1,1,2,2-tetrafluoroethyl)-7-(trifluoromethyl)quinazoline

C11H4ClF7N2 — CID 114589434

IUPAC4-chloro-2-(1,1,2,2-tetrafluoroethyl)-7-(trifluoromethyl)quinazoline
SMILESFC(F)C(F)(F)c1nc(Cl)c2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C11H4ClF7N2/c12-7-5-2-1-4(11(17,18)19)3-6(5)20-9(21-7)10(15,16)8(13)14/h1-3,8H
InChIKeyYPHVRNNKLCCKLP-UHFFFAOYSA-N
MW332.61 g/mol
LogP4.66
Rot. Bonds2

About 4-chloro-2-(1,1,2,2-tetrafluoroethyl)-7-(trifluoromethyl)quinazoline

4-chloro-2-(1,1,2,2-tetrafluoroethyl)-7-(trifluoromethyl)quinazoline (PubChem CID 114589434) has the molecular formula C11H4ClF7N2 and a molecular weight of 332.61 g/mol. Its IUPAC name is 4-chloro-2-(1,1,2,2-tetrafluoroethyl)-7-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name4-chloro-2-(1,1,2,2-tetrafluoroethyl)-7-(trifluoromethyl)quinazoline
PubChem CID114589434
Molecular FormulaC11H4ClF7N2
Molecular Weight332.61 g/mol
Exact Mass332.00
IUPAC Name4-chloro-2-(1,1,2,2-tetrafluoroethyl)-7-(trifluoromethyl)quinazoline
SMILESFC(F)C(F)(F)c1nc(Cl)c2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C11H4ClF7N2/c12-7-5-2-1-4(11(17,18)19)3-6(5)20-9(21-7)10(15,16)8(13)14/h1-3,8H
InChIKeyYPHVRNNKLCCKLP-UHFFFAOYSA-N
XLogP4.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.61
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-7-(1,1-difluoroethyl)quinazoline
CID 155368683
6-chloro-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine
CID 79659764
2-chloro-9-methyl-6-(trifluoromethyl)acridine
CID 146170270
4-chloro-7-(trifluoromethyl)quinolin-3-amine
CID 133061186
4-(4-chlorophenyl)-2-thiophen-3-yl-7-(trifluoromethyl)quinoline
CID 102412198
4-chloro-6-fluoro-2-(trifluoromethyl)quinazoline
CID 34176284
1-chloro-6-(trifluoromethyl)phthalazine
CID 172570708
3-(1-aminoethyl)-2-chloro-7-(trifluoromethyl)quinazolin-4-one
CID 117264348
[2-propan-2-yl-7-(trifluoromethyl)quinazolin-4-yl]hydrazine
CID 106584377
3-bromo-2,4-dichloro-6-(trifluoromethyl)quinoline
CID 97181858
3,10-bis(trifluoromethyl)picene
CID 88902241
2-chloro-3-[1-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one
CID 117264349

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1,1,2,2-tetrafluoroethyl)-7-(trifluoromethyl)quinazoline?
The IUPAC name of 4-chloro-2-(1,1,2,2-tetrafluoroethyl)-7-(trifluoromethyl)quinazoline (CID 114589434) is 4-chloro-2-(1,1,2,2-tetrafluoroethyl)-7-(trifluoromethyl)quinazoline.
What is the SMILES notation for 4-chloro-2-(1,1,2,2-tetrafluoroethyl)-7-(trifluoromethyl)quinazoline?
The canonical SMILES for 4-chloro-2-(1,1,2,2-tetrafluoroethyl)-7-(trifluoromethyl)quinazoline is FC(F)C(F)(F)c1nc(Cl)c2ccc(C(F)(F)F)cc2n1.
What is the InChIKey of 4-chloro-2-(1,1,2,2-tetrafluoroethyl)-7-(trifluoromethyl)quinazoline?
The InChIKey is YPHVRNNKLCCKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClF7N2/c12-7-5-2-1-4(11(17,18)19)3-6(5)20-9(21-7)10(15,16)8(13)14/h1-3,8H.
What are the key properties of 4-chloro-2-(1,1,2,2-tetrafluoroethyl)-7-(trifluoromethyl)quinazoline?
4-chloro-2-(1,1,2,2-tetrafluoroethyl)-7-(trifluoromethyl)quinazoline has a molecular weight of 332.61 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1,1,2,2-tetrafluoroethyl)-7-(trifluoromethyl)quinazoline is sourced from PubChem (CID 114589434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).