4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine

C15H12F4N2 — CID 71811529

IUPAC4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine
SMILESNC1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21
InChIInChI=1S/C15H12F4N2/c16-13-5-8(1-3-12(13)15(17,18)19)10-6-21-7-11-9(10)2-4-14(11)20/h1,3,5-7,14H,2,4,20H2
InChIKeyUEEOMMQKPLRCBM-UHFFFAOYSA-N
MW296.27 g/mol
LogP3.85
Rot. Bonds1

About 4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine

4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine (PubChem CID 71811529) has the molecular formula C15H12F4N2 and a molecular weight of 296.27 g/mol. Its IUPAC name is 4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine.

Molecular Properties

Compound Name4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine
PubChem CID71811529
Molecular FormulaC15H12F4N2
Molecular Weight296.27 g/mol
Exact Mass296.09
IUPAC Name4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine
SMILESNC1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21
InChIInChI=1S/C15H12F4N2/c16-13-5-8(1-3-12(13)15(17,18)19)10-6-21-7-11-9(10)2-4-14(11)20/h1,3,5-7,14H,2,4,20H2
InChIKeyUEEOMMQKPLRCBM-UHFFFAOYSA-N
XLogP3.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine?
The IUPAC name of 4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine (CID 71811529) is 4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine.
What is the SMILES notation for 4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine?
The canonical SMILES for 4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine is NC1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21.
What is the InChIKey of 4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine?
The InChIKey is UEEOMMQKPLRCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2/c16-13-5-8(1-3-12(13)15(17,18)19)10-6-21-7-11-9(10)2-4-14(11)20/h1,3,5-7,14H,2,4,20H2.
What are the key properties of 4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine?
4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine has a molecular weight of 296.27 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine is sourced from PubChem (CID 71811529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).