4-chloro-2-(difluoromethyl)quinazoline

C9H5ClF2N2 — CID 28973205

IUPAC4-chloro-2-(difluoromethyl)quinazoline
SMILESFC(F)c1nc(Cl)c2ccccc2n1
InChIInChI=1S/C9H5ClF2N2/c10-7-5-3-1-2-4-6(5)13-9(14-7)8(11)12/h1-4,8H
InChIKeyLKIIDXBEGXVCHB-UHFFFAOYSA-N
MW214.60 g/mol
LogP3.22
Rot. Bonds1

About 4-chloro-2-(difluoromethyl)quinazoline

4-chloro-2-(difluoromethyl)quinazoline (PubChem CID 28973205) has the molecular formula C9H5ClF2N2 and a molecular weight of 214.60 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)quinazoline.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)quinazoline
PubChem CID28973205
Molecular FormulaC9H5ClF2N2
Molecular Weight214.60 g/mol
Exact Mass214.01
IUPAC Name4-chloro-2-(difluoromethyl)quinazoline
SMILESFC(F)c1nc(Cl)c2ccccc2n1
InChIInChI=1S/C9H5ClF2N2/c10-7-5-3-1-2-4-6(5)13-9(14-7)8(11)12/h1-4,8H
InChIKeyLKIIDXBEGXVCHB-UHFFFAOYSA-N
XLogP3.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.60
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)quinazoline?
The IUPAC name of 4-chloro-2-(difluoromethyl)quinazoline (CID 28973205) is 4-chloro-2-(difluoromethyl)quinazoline.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)quinazoline?
The canonical SMILES for 4-chloro-2-(difluoromethyl)quinazoline is FC(F)c1nc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloro-2-(difluoromethyl)quinazoline?
The InChIKey is LKIIDXBEGXVCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2/c10-7-5-3-1-2-4-6(5)13-9(14-7)8(11)12/h1-4,8H.
What are the key properties of 4-chloro-2-(difluoromethyl)quinazoline?
4-chloro-2-(difluoromethyl)quinazoline has a molecular weight of 214.60 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethyl)quinazoline is sourced from PubChem (CID 28973205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).