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

C19H17ClFN — CID 142671191

IUPAC3-(3-chloro-5-fluorophenyl)spiro[cyclohexane-1,3'-indole]
SMILESFc1cc(Cl)cc(C2CCCC3(C=Nc4ccccc43)C2)c1
InChIInChI=1S/C19H17ClFN/c20-15-8-14(9-16(21)10-15)13-4-3-7-19(11-13)12-22-18-6-2-1-5-17(18)19/h1-2,5-6,8-10,12-13H,3-4,7,11H2
InChIKeyQKNSHQRQXCYHHA-UHFFFAOYSA-N
MW313.80 g/mol
LogP5.79
Rot. Bonds1

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

3-(3-chloro-5-fluorophenyl)spiro[cyclohexane-1,3'-indole] (PubChem CID 142671191) has the molecular formula C19H17ClFN and a molecular weight of 313.80 g/mol. Its IUPAC name is 3-(3-chloro-5-fluorophenyl)spiro[cyclohexane-1,3'-indole].

Molecular Properties

Compound Name3-(3-chloro-5-fluorophenyl)spiro[cyclohexane-1,3'-indole]
PubChem CID142671191
Molecular FormulaC19H17ClFN
Molecular Weight313.80 g/mol
Exact Mass313.10
IUPAC Name3-(3-chloro-5-fluorophenyl)spiro[cyclohexane-1,3'-indole]
SMILESFc1cc(Cl)cc(C2CCCC3(C=Nc4ccccc43)C2)c1
InChIInChI=1S/C19H17ClFN/c20-15-8-14(9-16(21)10-15)13-4-3-7-19(11-13)12-22-18-6-2-1-5-17(18)19/h1-2,5-6,8-10,12-13H,3-4,7,11H2
InChIKeyQKNSHQRQXCYHHA-UHFFFAOYSA-N
XLogP5.79
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 ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenylspiro[cyclopentane-1,3'-indole]
CID 78152438
3-(3-chloro-5-fluorophenyl)piperidine
CID 24904336
2-methyl-5-(3-nitrophenyl)spiro[cyclohexane-1,3'-indole]
CID 22601704
N'-[3-(3-chloro-5-fluorophenyl)azepan-1-yl]-N-methylidenecarbamimidoyl bromide
CID 166943181
(2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine
CID 66518568
1'-(2,4,6-trimethylphenyl)spiro[indole-3,4'-piperidine]
CID 177414966
4-(3-chloro-5-fluorophenyl)-3-(2-chlorophenyl)piperidine
CID 114455081
3-chloro-5-fluoro-N-(4-phenylcyclohexyl)aniline
CID 107364123
(3-chloro-5-fluorophenyl)-(4-cyclobutylphenyl)methanol
CID 114454040
1-chloro-3,5-difluorobenzene
CID 159732874
3-(2,5-difluorophenyl)-3-fluorocyclohexan-1-amine
CID 112567534
2-(3-chloro-5-fluorophenyl)-3-(chloromethyl)oxolane
CID 114455159

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-fluorophenyl)spiro[cyclohexane-1,3'-indole]?
The IUPAC name of 3-(3-chloro-5-fluorophenyl)spiro[cyclohexane-1,3'-indole] (CID 142671191) is 3-(3-chloro-5-fluorophenyl)spiro[cyclohexane-1,3'-indole].
What is the SMILES notation for 3-(3-chloro-5-fluorophenyl)spiro[cyclohexane-1,3'-indole]?
The canonical SMILES for 3-(3-chloro-5-fluorophenyl)spiro[cyclohexane-1,3'-indole] is Fc1cc(Cl)cc(C2CCCC3(C=Nc4ccccc43)C2)c1.
What is the InChIKey of 3-(3-chloro-5-fluorophenyl)spiro[cyclohexane-1,3'-indole]?
The InChIKey is QKNSHQRQXCYHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN/c20-15-8-14(9-16(21)10-15)13-4-3-7-19(11-13)12-22-18-6-2-1-5-17(18)19/h1-2,5-6,8-10,12-13H,3-4,7,11H2.
What are the key properties of 3-(3-chloro-5-fluorophenyl)spiro[cyclohexane-1,3'-indole]?
3-(3-chloro-5-fluorophenyl)spiro[cyclohexane-1,3'-indole] has a molecular weight of 313.80 g/mol, XLogP of 5.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-fluorophenyl)spiro[cyclohexane-1,3'-indole] is sourced from PubChem (CID 142671191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).