4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinoline

C12H6ClF6NO — CID 162397073

IUPAC4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinoline
SMILESFC(F)(F)C(Oc1cc(Cl)c2ccccc2n1)C(F)(F)F
InChIInChI=1S/C12H6ClF6NO/c13-7-5-9(20-8-4-2-1-3-6(7)8)21-10(11(14,15)16)12(17,18)19/h1-5,10H
InChIKeySSMUIOHVHRYLRD-UHFFFAOYSA-N
MW329.63 g/mol
LogP4.76
Rot. Bonds2

About 4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinoline

4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinoline (PubChem CID 162397073) has the molecular formula C12H6ClF6NO and a molecular weight of 329.63 g/mol. Its IUPAC name is 4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinoline.

Molecular Properties

Compound Name4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinoline
PubChem CID162397073
Molecular FormulaC12H6ClF6NO
Molecular Weight329.63 g/mol
Exact Mass329.00
IUPAC Name4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinoline
SMILESFC(F)(F)C(Oc1cc(Cl)c2ccccc2n1)C(F)(F)F
InChIInChI=1S/C12H6ClF6NO/c13-7-5-9(20-8-4-2-1-3-6(7)8)21-10(11(14,15)16)12(17,18)19/h1-5,10H
InChIKeySSMUIOHVHRYLRD-UHFFFAOYSA-N
XLogP4.76
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.63
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinoline?
The IUPAC name of 4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinoline (CID 162397073) is 4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinoline.
What is the SMILES notation for 4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinoline?
The canonical SMILES for 4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinoline is FC(F)(F)C(Oc1cc(Cl)c2ccccc2n1)C(F)(F)F.
What is the InChIKey of 4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinoline?
The InChIKey is SSMUIOHVHRYLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF6NO/c13-7-5-9(20-8-4-2-1-3-6(7)8)21-10(11(14,15)16)12(17,18)19/h1-5,10H.
What are the key properties of 4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinoline?
4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinoline has a molecular weight of 329.63 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinoline is sourced from PubChem (CID 162397073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).