5,6,7-trifluorospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopentane]

C16H16F3N — CID 114820912

IUPAC5,6,7-trifluorospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopentane]
SMILESFc1cc2[nH]c3c(c2c(F)c1F)CC1(CCCC1)CC3
InChIInChI=1S/C16H16F3N/c17-10-7-12-13(15(19)14(10)18)9-8-16(4-1-2-5-16)6-3-11(9)20-12/h7,20H,1-6,8H2
InChIKeyZPLXMZZBZCNBCZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP4.63
Rot. Bonds

About 5,6,7-trifluorospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopentane]

5,6,7-trifluorospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopentane] (PubChem CID 114820912) has the molecular formula C16H16F3N and a molecular weight of 279.30 g/mol. Its IUPAC name is 5,6,7-trifluorospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopentane].

Molecular Properties

Compound Name5,6,7-trifluorospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopentane]
PubChem CID114820912
Molecular FormulaC16H16F3N
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name5,6,7-trifluorospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopentane]
SMILESFc1cc2[nH]c3c(c2c(F)c1F)CC1(CCCC1)CC3
InChIInChI=1S/C16H16F3N/c17-10-7-12-13(15(19)14(10)18)9-8-16(4-1-2-5-16)6-3-11(9)20-12/h7,20H,1-6,8H2
InChIKeyZPLXMZZBZCNBCZ-UHFFFAOYSA-N
XLogP4.63
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7-trifluorospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopentane]?
The IUPAC name of 5,6,7-trifluorospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopentane] (CID 114820912) is 5,6,7-trifluorospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopentane].
What is the SMILES notation for 5,6,7-trifluorospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopentane]?
The canonical SMILES for 5,6,7-trifluorospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopentane] is Fc1cc2[nH]c3c(c2c(F)c1F)CC1(CCCC1)CC3.
What is the InChIKey of 5,6,7-trifluorospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopentane]?
The InChIKey is ZPLXMZZBZCNBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c17-10-7-12-13(15(19)14(10)18)9-8-16(4-1-2-5-16)6-3-11(9)20-12/h7,20H,1-6,8H2.
What are the key properties of 5,6,7-trifluorospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopentane]?
5,6,7-trifluorospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopentane] has a molecular weight of 279.30 g/mol, XLogP of 4.63, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trifluorospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopentane] is sourced from PubChem (CID 114820912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).