2'-[4-(trifluoromethyl)phenyl]spiro[cyclopentane-1,3'-indole]

C19H16F3N — CID 122374112

IUPAC2'-[4-(trifluoromethyl)phenyl]spiro[cyclopentane-1,3'-indole]
SMILESFC(F)(F)c1ccc(C2=Nc3ccccc3C23CCCC3)cc1
InChIInChI=1S/C19H16F3N/c20-19(21,22)14-9-7-13(8-10-14)17-18(11-3-4-12-18)15-5-1-2-6-16(15)23-17/h1-2,5-10H,3-4,11-12H2
InChIKeyHDHOORPNKXLDPC-UHFFFAOYSA-N
MW315.34 g/mol
LogP5.65
Rot. Bonds1

About 2'-[4-(trifluoromethyl)phenyl]spiro[cyclopentane-1,3'-indole]

2'-[4-(trifluoromethyl)phenyl]spiro[cyclopentane-1,3'-indole] (PubChem CID 122374112) has the molecular formula C19H16F3N and a molecular weight of 315.34 g/mol. Its IUPAC name is 2'-[4-(trifluoromethyl)phenyl]spiro[cyclopentane-1,3'-indole].

Molecular Properties

Compound Name2'-[4-(trifluoromethyl)phenyl]spiro[cyclopentane-1,3'-indole]
PubChem CID122374112
Molecular FormulaC19H16F3N
Molecular Weight315.34 g/mol
Exact Mass315.12
IUPAC Name2'-[4-(trifluoromethyl)phenyl]spiro[cyclopentane-1,3'-indole]
SMILESFC(F)(F)c1ccc(C2=Nc3ccccc3C23CCCC3)cc1
InChIInChI=1S/C19H16F3N/c20-19(21,22)14-9-7-13(8-10-14)17-18(11-3-4-12-18)15-5-1-2-6-16(15)23-17/h1-2,5-10H,3-4,11-12H2
InChIKeyHDHOORPNKXLDPC-UHFFFAOYSA-N
XLogP5.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.34
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2'-[4-(trifluoromethyl)phenyl]spiro[cyclopentane-1,3'-indole]?
The IUPAC name of 2'-[4-(trifluoromethyl)phenyl]spiro[cyclopentane-1,3'-indole] (CID 122374112) is 2'-[4-(trifluoromethyl)phenyl]spiro[cyclopentane-1,3'-indole].
What is the SMILES notation for 2'-[4-(trifluoromethyl)phenyl]spiro[cyclopentane-1,3'-indole]?
The canonical SMILES for 2'-[4-(trifluoromethyl)phenyl]spiro[cyclopentane-1,3'-indole] is FC(F)(F)c1ccc(C2=Nc3ccccc3C23CCCC3)cc1.
What is the InChIKey of 2'-[4-(trifluoromethyl)phenyl]spiro[cyclopentane-1,3'-indole]?
The InChIKey is HDHOORPNKXLDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N/c20-19(21,22)14-9-7-13(8-10-14)17-18(11-3-4-12-18)15-5-1-2-6-16(15)23-17/h1-2,5-10H,3-4,11-12H2.
What are the key properties of 2'-[4-(trifluoromethyl)phenyl]spiro[cyclopentane-1,3'-indole]?
2'-[4-(trifluoromethyl)phenyl]spiro[cyclopentane-1,3'-indole] has a molecular weight of 315.34 g/mol, XLogP of 5.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[4-(trifluoromethyl)phenyl]spiro[cyclopentane-1,3'-indole] is sourced from PubChem (CID 122374112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).