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

C19H18FN — CID 151120083

IUPAC3-(3-fluorophenyl)spiro[cyclohexane-1,3'-indole]
SMILESFc1cccc(C2CCCC3(C=Nc4ccccc43)C2)c1
InChIInChI=1S/C19H18FN/c20-16-7-3-5-14(11-16)15-6-4-10-19(12-15)13-21-18-9-2-1-8-17(18)19/h1-3,5,7-9,11,13,15H,4,6,10,12H2
InChIKeyMRZMQBNTPDJCDV-UHFFFAOYSA-N
MW279.36 g/mol
LogP5.14
Rot. Bonds1

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

3-(3-fluorophenyl)spiro[cyclohexane-1,3'-indole] (PubChem CID 151120083) has the molecular formula C19H18FN and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-(3-fluorophenyl)spiro[cyclohexane-1,3'-indole].

Molecular Properties

Compound Name3-(3-fluorophenyl)spiro[cyclohexane-1,3'-indole]
PubChem CID151120083
Molecular FormulaC19H18FN
Molecular Weight279.36 g/mol
Exact Mass279.14
IUPAC Name3-(3-fluorophenyl)spiro[cyclohexane-1,3'-indole]
SMILESFc1cccc(C2CCCC3(C=Nc4ccccc43)C2)c1
InChIInChI=1S/C19H18FN/c20-16-7-3-5-14(11-16)15-6-4-10-19(12-15)13-21-18-9-2-1-8-17(18)19/h1-3,5,7-9,11,13,15H,4,6,10,12H2
InChIKeyMRZMQBNTPDJCDV-UHFFFAOYSA-N
XLogP5.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.36
LogP ≤ 55.14
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-[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
2,3-Dimethyl-3-phenylindole
CID 345250
Spiro[cyclohexane-1,3'-[3H]indole]
CID 11687014
N-[2-[2-(Benzylideneamino)phenyl]phenyl]-1-phenyl-methanimine
CID 319509
2,3,3-Trimethyl-5-phenyl-3H-indole
CID 3100870
N-(2,6-diethylphenyl)-1-(2-fluorophenyl)methanimine
CID 91585635
2,2,2-trifluoro-N-(2-phenylphenyl)ethanimine
CID 134843576

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)spiro[cyclohexane-1,3'-indole]?
The IUPAC name of 3-(3-fluorophenyl)spiro[cyclohexane-1,3'-indole] (CID 151120083) is 3-(3-fluorophenyl)spiro[cyclohexane-1,3'-indole].
What is the SMILES notation for 3-(3-fluorophenyl)spiro[cyclohexane-1,3'-indole]?
The canonical SMILES for 3-(3-fluorophenyl)spiro[cyclohexane-1,3'-indole] is Fc1cccc(C2CCCC3(C=Nc4ccccc43)C2)c1.
What is the InChIKey of 3-(3-fluorophenyl)spiro[cyclohexane-1,3'-indole]?
The InChIKey is MRZMQBNTPDJCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN/c20-16-7-3-5-14(11-16)15-6-4-10-19(12-15)13-21-18-9-2-1-8-17(18)19/h1-3,5,7-9,11,13,15H,4,6,10,12H2.
What are the key properties of 3-(3-fluorophenyl)spiro[cyclohexane-1,3'-indole]?
3-(3-fluorophenyl)spiro[cyclohexane-1,3'-indole] has a molecular weight of 279.36 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)spiro[cyclohexane-1,3'-indole] is sourced from PubChem (CID 151120083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).