3-(3,3,3-trifluoropropoxy)quinoline

C12H10F3NO — CID 102846999

IUPAC3-(3,3,3-trifluoropropoxy)quinoline
SMILESFC(F)(F)CCOc1cnc2ccccc2c1
InChIInChI=1S/C12H10F3NO/c13-12(14,15)5-6-17-10-7-9-3-1-2-4-11(9)16-8-10/h1-4,7-8H,5-6H2
InChIKeyHOPMLBZQVYUAMM-UHFFFAOYSA-N
MW241.21 g/mol
LogP3.57
Rot. Bonds3

About 3-(3,3,3-trifluoropropoxy)quinoline

3-(3,3,3-trifluoropropoxy)quinoline (PubChem CID 102846999) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropoxy)quinoline.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropoxy)quinoline
PubChem CID102846999
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name3-(3,3,3-trifluoropropoxy)quinoline
SMILESFC(F)(F)CCOc1cnc2ccccc2c1
InChIInChI=1S/C12H10F3NO/c13-12(14,15)5-6-17-10-7-9-3-1-2-4-11(9)16-8-10/h1-4,7-8H,5-6H2
InChIKeyHOPMLBZQVYUAMM-UHFFFAOYSA-N
XLogP3.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-quinolin-3-yloxyethanol
CID 102847036
2-quinolin-3-yloxyethanamine
CID 84661473
3-quinolin-3-yloxypropanamide
CID 107388241
3-(bromomethoxy)quinoline
CID 54277099
2-quinolin-3-yloxyethanesulfonyl chloride
CID 107388048
quinolin-3-yl 2,2,2-trifluoroacetate
CID 70210319
2-methoxy-N-(2-quinolin-3-yloxyethyl)ethanamine
CID 97034151
3-(3-ethylsulfanylpropoxy)quinoline
CID 102847017
N-methyl-6-quinolin-3-yloxyhexan-1-amine
CID 107387823
N-tert-butyl-5-quinolin-3-yloxypentan-1-amine
CID 107387805
2-(7,7,7-trifluoroheptoxy)naphthalene
CID 134838643
3-prop-2-ynoxyquinoline
CID 102847055

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropoxy)quinoline?
The IUPAC name of 3-(3,3,3-trifluoropropoxy)quinoline (CID 102846999) is 3-(3,3,3-trifluoropropoxy)quinoline.
What is the SMILES notation for 3-(3,3,3-trifluoropropoxy)quinoline?
The canonical SMILES for 3-(3,3,3-trifluoropropoxy)quinoline is FC(F)(F)CCOc1cnc2ccccc2c1.
What is the InChIKey of 3-(3,3,3-trifluoropropoxy)quinoline?
The InChIKey is HOPMLBZQVYUAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c13-12(14,15)5-6-17-10-7-9-3-1-2-4-11(9)16-8-10/h1-4,7-8H,5-6H2.
What are the key properties of 3-(3,3,3-trifluoropropoxy)quinoline?
3-(3,3,3-trifluoropropoxy)quinoline has a molecular weight of 241.21 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropoxy)quinoline is sourced from PubChem (CID 102846999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).