4-chloro-2-(trifluoromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline

C14H11ClF3N — CID 43668589

IUPAC4-chloro-2-(trifluoromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline
SMILESFC(F)(F)c1cc(Cl)c2ccc3c(c2n1)CCCC3
InChIInChI=1S/C14H11ClF3N/c15-11-7-12(14(16,17)18)19-13-9-4-2-1-3-8(9)5-6-10(11)13/h5-7H,1-4H2
InChIKeyXSJZNXAHXKUNRB-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.79
Rot. Bonds

About 4-chloro-2-(trifluoromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline

4-chloro-2-(trifluoromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline (PubChem CID 43668589) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline
PubChem CID43668589
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC Name4-chloro-2-(trifluoromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline
SMILESFC(F)(F)c1cc(Cl)c2ccc3c(c2n1)CCCC3
InChIInChI=1S/C14H11ClF3N/c15-11-7-12(14(16,17)18)19-13-9-4-2-1-3-8(9)5-6-10(11)13/h5-7H,1-4H2
InChIKeyXSJZNXAHXKUNRB-UHFFFAOYSA-N
XLogP4.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(trifluoromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline?
The IUPAC name of 4-chloro-2-(trifluoromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline (CID 43668589) is 4-chloro-2-(trifluoromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline.
What is the SMILES notation for 4-chloro-2-(trifluoromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline?
The canonical SMILES for 4-chloro-2-(trifluoromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline is FC(F)(F)c1cc(Cl)c2ccc3c(c2n1)CCCC3.
What is the InChIKey of 4-chloro-2-(trifluoromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline?
The InChIKey is XSJZNXAHXKUNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c15-11-7-12(14(16,17)18)19-13-9-4-2-1-3-8(9)5-6-10(11)13/h5-7H,1-4H2.
What are the key properties of 4-chloro-2-(trifluoromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline?
4-chloro-2-(trifluoromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline has a molecular weight of 285.70 g/mol, XLogP of 4.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(trifluoromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline is sourced from PubChem (CID 43668589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).