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

C19H17F2N — CID 141080331

IUPAC3-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole]
SMILESFc1ccc(C2CCCC3(C=Nc4ccccc43)C2)cc1F
InChIInChI=1S/C19H17F2N/c20-16-8-7-13(10-17(16)21)14-4-3-9-19(11-14)12-22-18-6-2-1-5-15(18)19/h1-2,5-8,10,12,14H,3-4,9,11H2
InChIKeyUCGQHZNPXURNRQ-UHFFFAOYSA-N
MW297.35 g/mol
LogP5.28
Rot. Bonds1

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

3-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole] (PubChem CID 141080331) has the molecular formula C19H17F2N and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole].

Molecular Properties

Compound Name3-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole]
PubChem CID141080331
Molecular FormulaC19H17F2N
Molecular Weight297.35 g/mol
Exact Mass297.13
IUPAC Name3-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole]
SMILESFc1ccc(C2CCCC3(C=Nc4ccccc43)C2)cc1F
InChIInChI=1S/C19H17F2N/c20-16-8-7-13(10-17(16)21)14-4-3-9-19(11-14)12-22-18-6-2-1-5-15(18)19/h1-2,5-8,10,12,14H,3-4,9,11H2
InChIKeyUCGQHZNPXURNRQ-UHFFFAOYSA-N
XLogP5.28
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 ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(z)-Phenylmethylidene]-3h-indole
CID 6509966
3,3-dimethyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]indole
CID 71656293
3,3-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]indole
CID 71739817
3,3-dimethyl-2-[(E)-2-(3-methylphenyl)ethenyl]indole
CID 71739819
3-geranyl-3-[(Z)-2-isocyanoethenyl]-1H-indole
CID 124081729
(E)-N-[2,6-Di(propan-2-yl)phenyl]-1-(2-fluorophenyl)methanimine
CID 71365591
4a-phenyl-2,3,4,4a-tetrahydro-1H-carbazole
CID 338157
Spiro[cyclohexane-1,3'-[3H]indole]
CID 11687014
N-(2,6-diethylphenyl)-1-(2-fluorophenyl)methanimine
CID 91585635
1-phenyl-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine
CID 101758446
2,2,2-trifluoro-N-(2-phenylphenyl)ethanimine
CID 134843576
(4aR)-6-fluoro-4a-(2-methylprop-2-enyl)-1,2,3,4-tetrahydrocarbazole
CID 134969110

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole]?
The IUPAC name of 3-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole] (CID 141080331) is 3-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole].
What is the SMILES notation for 3-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole]?
The canonical SMILES for 3-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole] is Fc1ccc(C2CCCC3(C=Nc4ccccc43)C2)cc1F.
What is the InChIKey of 3-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole]?
The InChIKey is UCGQHZNPXURNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N/c20-16-8-7-13(10-17(16)21)14-4-3-9-19(11-14)12-22-18-6-2-1-5-15(18)19/h1-2,5-8,10,12,14H,3-4,9,11H2.
What are the key properties of 3-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole]?
3-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole] has a molecular weight of 297.35 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)spiro[cyclohexane-1,3'-indole] is sourced from PubChem (CID 141080331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).