2-[2,4-bis(trifluoromethyl)phenyl]-3-fluoropyridine

C13H6F7N — CID 130181953

IUPAC2-[2,4-bis(trifluoromethyl)phenyl]-3-fluoropyridine
SMILESFc1cccnc1-c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C13H6F7N/c14-10-2-1-5-21-11(10)8-4-3-7(12(15,16)17)6-9(8)13(18,19)20/h1-6H
InChIKeySXGCMGBCUGNTII-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.93
Rot. Bonds1

About 2-[2,4-bis(trifluoromethyl)phenyl]-3-fluoropyridine

2-[2,4-bis(trifluoromethyl)phenyl]-3-fluoropyridine (PubChem CID 130181953) has the molecular formula C13H6F7N and a molecular weight of 309.18 g/mol. Its IUPAC name is 2-[2,4-bis(trifluoromethyl)phenyl]-3-fluoropyridine.

Molecular Properties

Compound Name2-[2,4-bis(trifluoromethyl)phenyl]-3-fluoropyridine
PubChem CID130181953
Molecular FormulaC13H6F7N
Molecular Weight309.18 g/mol
Exact Mass309.04
IUPAC Name2-[2,4-bis(trifluoromethyl)phenyl]-3-fluoropyridine
SMILESFc1cccnc1-c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C13H6F7N/c14-10-2-1-5-21-11(10)8-4-3-7(12(15,16)17)6-9(8)13(18,19)20/h1-6H
InChIKeySXGCMGBCUGNTII-UHFFFAOYSA-N
XLogP4.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(trifluoromethyl)phenyl]-3-fluoropyridine?
The IUPAC name of 2-[2,4-bis(trifluoromethyl)phenyl]-3-fluoropyridine (CID 130181953) is 2-[2,4-bis(trifluoromethyl)phenyl]-3-fluoropyridine.
What is the SMILES notation for 2-[2,4-bis(trifluoromethyl)phenyl]-3-fluoropyridine?
The canonical SMILES for 2-[2,4-bis(trifluoromethyl)phenyl]-3-fluoropyridine is Fc1cccnc1-c1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 2-[2,4-bis(trifluoromethyl)phenyl]-3-fluoropyridine?
The InChIKey is SXGCMGBCUGNTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F7N/c14-10-2-1-5-21-11(10)8-4-3-7(12(15,16)17)6-9(8)13(18,19)20/h1-6H.
What are the key properties of 2-[2,4-bis(trifluoromethyl)phenyl]-3-fluoropyridine?
2-[2,4-bis(trifluoromethyl)phenyl]-3-fluoropyridine has a molecular weight of 309.18 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(trifluoromethyl)phenyl]-3-fluoropyridine is sourced from PubChem (CID 130181953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).