4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine

C24H19F4NO — CID 126626678

IUPAC4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine
SMILESFc1ccc(-c2ccncc2C(F)(F)F)c2c1C(Oc1ccc(C3CC3)cc1)CC2
InChIInChI=1S/C24H19F4NO/c25-21-9-7-17(18-11-12-29-13-20(18)24(26,27)28)19-8-10-22(23(19)21)30-16-5-3-15(4-6-16)14-1-2-14/h3-7,9,11-14,22H,1-2,8,10H2
InChIKeyBMZFRCNXTCEIOS-UHFFFAOYSA-N
MW413.41 g/mol
LogP6.85
Rot. Bonds4

About 4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine

4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine (PubChem CID 126626678) has the molecular formula C24H19F4NO and a molecular weight of 413.41 g/mol. Its IUPAC name is 4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine
PubChem CID126626678
Molecular FormulaC24H19F4NO
Molecular Weight413.41 g/mol
Exact Mass413.14
IUPAC Name4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine
SMILESFc1ccc(-c2ccncc2C(F)(F)F)c2c1C(Oc1ccc(C3CC3)cc1)CC2
InChIInChI=1S/C24H19F4NO/c25-21-9-7-17(18-11-12-29-13-20(18)24(26,27)28)19-8-10-22(23(19)21)30-16-5-3-15(4-6-16)14-1-2-14/h3-7,9,11-14,22H,1-2,8,10H2
InChIKeyBMZFRCNXTCEIOS-UHFFFAOYSA-N
XLogP6.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.41
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine?
The IUPAC name of 4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine (CID 126626678) is 4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine?
The canonical SMILES for 4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine is Fc1ccc(-c2ccncc2C(F)(F)F)c2c1C(Oc1ccc(C3CC3)cc1)CC2.
What is the InChIKey of 4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine?
The InChIKey is BMZFRCNXTCEIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4NO/c25-21-9-7-17(18-11-12-29-13-20(18)24(26,27)28)19-8-10-22(23(19)21)30-16-5-3-15(4-6-16)14-1-2-14/h3-7,9,11-14,22H,1-2,8,10H2.
What are the key properties of 4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine?
4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine has a molecular weight of 413.41 g/mol, XLogP of 6.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 126626678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).