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

C19H17ClFN — CID 54055524

IUPAC5'-(3-chloro-4-fluorophenyl)spiro[cyclohexane-1,3'-indole]
SMILESFc1ccc(-c2ccc3c(c2)C2(C=N3)CCCCC2)cc1Cl
InChIInChI=1S/C19H17ClFN/c20-16-11-14(4-6-17(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
InChIKeyLVYYFRKTSGFIIP-UHFFFAOYSA-N
MW313.80 g/mol
LogP6.06
Rot. Bonds1

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

5'-(3-chloro-4-fluorophenyl)spiro[cyclohexane-1,3'-indole] (PubChem CID 54055524) has the molecular formula C19H17ClFN and a molecular weight of 313.80 g/mol. Its IUPAC name is 5'-(3-chloro-4-fluorophenyl)spiro[cyclohexane-1,3'-indole].

Molecular Properties

Compound Name5'-(3-chloro-4-fluorophenyl)spiro[cyclohexane-1,3'-indole]
PubChem CID54055524
Molecular FormulaC19H17ClFN
Molecular Weight313.80 g/mol
Exact Mass313.10
IUPAC Name5'-(3-chloro-4-fluorophenyl)spiro[cyclohexane-1,3'-indole]
SMILESFc1ccc(-c2ccc3c(c2)C2(C=N3)CCCCC2)cc1Cl
InChIInChI=1S/C19H17ClFN/c20-16-11-14(4-6-17(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
InChIKeyLVYYFRKTSGFIIP-UHFFFAOYSA-N
XLogP6.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.80
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5'-(3-chloro-4-fluorophenyl)spiro[cyclohexane-1,3'-indole]?
The IUPAC name of 5'-(3-chloro-4-fluorophenyl)spiro[cyclohexane-1,3'-indole] (CID 54055524) is 5'-(3-chloro-4-fluorophenyl)spiro[cyclohexane-1,3'-indole].
What is the SMILES notation for 5'-(3-chloro-4-fluorophenyl)spiro[cyclohexane-1,3'-indole]?
The canonical SMILES for 5'-(3-chloro-4-fluorophenyl)spiro[cyclohexane-1,3'-indole] is Fc1ccc(-c2ccc3c(c2)C2(C=N3)CCCCC2)cc1Cl.
What is the InChIKey of 5'-(3-chloro-4-fluorophenyl)spiro[cyclohexane-1,3'-indole]?
The InChIKey is LVYYFRKTSGFIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN/c20-16-11-14(4-6-17(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-chloro-4-fluorophenyl)spiro[cyclohexane-1,3'-indole]?
5'-(3-chloro-4-fluorophenyl)spiro[cyclohexane-1,3'-indole] has a molecular weight of 313.80 g/mol, XLogP of 6.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(3-chloro-4-fluorophenyl)spiro[cyclohexane-1,3'-indole] is sourced from PubChem (CID 54055524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).