5'-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole]

C19H17F2N — CID 141080333

IUPAC5'-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole]
SMILESFc1ccc(-c2ccc3c(c2)C2(C=N3)CCCCC2)cc1F
InChIInChI=1S/C19H17F2N/c20-16-6-4-14(11-17(16)21)13-5-7-18-15(10-13)19(12-22-18)8-2-1-3-9-19/h4-7,10-12H,1-3,8-9H2
InChIKeyFGMDYDLFJICLCN-UHFFFAOYSA-N
MW297.35 g/mol
LogP5.55
Rot. Bonds1

About 5'-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole]

5'-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole] (PubChem CID 141080333) has the molecular formula C19H17F2N and a molecular weight of 297.35 g/mol. Its IUPAC name is 5'-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole].

Molecular Properties

Compound Name5'-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole]
PubChem CID141080333
Molecular FormulaC19H17F2N
Molecular Weight297.35 g/mol
Exact Mass297.13
IUPAC Name5'-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole]
SMILESFc1ccc(-c2ccc3c(c2)C2(C=N3)CCCCC2)cc1F
InChIInChI=1S/C19H17F2N/c20-16-6-4-14(11-17(16)21)13-5-7-18-15(10-13)19(12-22-18)8-2-1-3-9-19/h4-7,10-12H,1-3,8-9H2
InChIKeyFGMDYDLFJICLCN-UHFFFAOYSA-N
XLogP5.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.35
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5'-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole]?
The IUPAC name of 5'-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole] (CID 141080333) is 5'-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole].
What is the SMILES notation for 5'-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole]?
The canonical SMILES for 5'-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole] is Fc1ccc(-c2ccc3c(c2)C2(C=N3)CCCCC2)cc1F.
What is the InChIKey of 5'-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole]?
The InChIKey is FGMDYDLFJICLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N/c20-16-6-4-14(11-17(16)21)13-5-7-18-15(10-13)19(12-22-18)8-2-1-3-9-19/h4-7,10-12H,1-3,8-9H2.
What are the key properties of 5'-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole]?
5'-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole] has a molecular weight of 297.35 g/mol, XLogP of 5.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole] is sourced from PubChem (CID 141080333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).