4-chloro-6,6-difluoro-7,8-dihydro-5H-quinazoline

C8H7ClF2N2 — CID 87167395

IUPAC4-chloro-6,6-difluoro-7,8-dihydro-5H-quinazoline
SMILESFC1(F)CCc2ncnc(Cl)c2C1
InChIInChI=1S/C8H7ClF2N2/c9-7-5-3-8(10,11)2-1-6(5)12-4-13-7/h4H,1-3H2
InChIKeyZRIPOVQYGNOJMA-UHFFFAOYSA-N
MW204.61 g/mol
LogP2.25
Rot. Bonds

About 4-chloro-6,6-difluoro-7,8-dihydro-5H-quinazoline

4-chloro-6,6-difluoro-7,8-dihydro-5H-quinazoline (PubChem CID 87167395) has the molecular formula C8H7ClF2N2 and a molecular weight of 204.61 g/mol. Its IUPAC name is 4-chloro-6,6-difluoro-7,8-dihydro-5H-quinazoline.

Molecular Properties

Compound Name4-chloro-6,6-difluoro-7,8-dihydro-5H-quinazoline
PubChem CID87167395
Molecular FormulaC8H7ClF2N2
Molecular Weight204.61 g/mol
Exact Mass204.03
IUPAC Name4-chloro-6,6-difluoro-7,8-dihydro-5H-quinazoline
SMILESFC1(F)CCc2ncnc(Cl)c2C1
InChIInChI=1S/C8H7ClF2N2/c9-7-5-3-8(10,11)2-1-6(5)12-4-13-7/h4H,1-3H2
InChIKeyZRIPOVQYGNOJMA-UHFFFAOYSA-N
XLogP2.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.61
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,6-difluoro-7,8-dihydro-5H-quinazoline?
The IUPAC name of 4-chloro-6,6-difluoro-7,8-dihydro-5H-quinazoline (CID 87167395) is 4-chloro-6,6-difluoro-7,8-dihydro-5H-quinazoline.
What is the SMILES notation for 4-chloro-6,6-difluoro-7,8-dihydro-5H-quinazoline?
The canonical SMILES for 4-chloro-6,6-difluoro-7,8-dihydro-5H-quinazoline is FC1(F)CCc2ncnc(Cl)c2C1.
What is the InChIKey of 4-chloro-6,6-difluoro-7,8-dihydro-5H-quinazoline?
The InChIKey is ZRIPOVQYGNOJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2/c9-7-5-3-8(10,11)2-1-6(5)12-4-13-7/h4H,1-3H2.
What are the key properties of 4-chloro-6,6-difluoro-7,8-dihydro-5H-quinazoline?
4-chloro-6,6-difluoro-7,8-dihydro-5H-quinazoline has a molecular weight of 204.61 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,6-difluoro-7,8-dihydro-5H-quinazoline is sourced from PubChem (CID 87167395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).