3-chloro-1-(3-fluorophenyl)-2-methyl-1H-indene

C16H12ClF — CID 11276938

IUPAC3-chloro-1-(3-fluorophenyl)-2-methyl-1H-indene
SMILESCC1=C(Cl)c2ccccc2C1c1cccc(F)c1
InChIInChI=1S/C16H12ClF/c1-10-15(11-5-4-6-12(18)9-11)13-7-2-3-8-14(13)16(10)17/h2-9,15H,1H3
InChIKeyMLQZYIXSGWIRET-UHFFFAOYSA-N
MW258.72 g/mol
LogP4.94
Rot. Bonds1

About 3-chloro-1-(3-fluorophenyl)-2-methyl-1H-indene

3-chloro-1-(3-fluorophenyl)-2-methyl-1H-indene (PubChem CID 11276938) has the molecular formula C16H12ClF and a molecular weight of 258.72 g/mol. Its IUPAC name is 3-chloro-1-(3-fluorophenyl)-2-methyl-1H-indene.

Molecular Properties

Compound Name3-chloro-1-(3-fluorophenyl)-2-methyl-1H-indene
PubChem CID11276938
Molecular FormulaC16H12ClF
Molecular Weight258.72 g/mol
Exact Mass258.06
IUPAC Name3-chloro-1-(3-fluorophenyl)-2-methyl-1H-indene
SMILESCC1=C(Cl)c2ccccc2C1c1cccc(F)c1
InChIInChI=1S/C16H12ClF/c1-10-15(11-5-4-6-12(18)9-11)13-7-2-3-8-14(13)16(10)17/h2-9,15H,1H3
InChIKeyMLQZYIXSGWIRET-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,8,14-tris(3-fluorophenyl)-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]henicosa-1(19),3(21),4,6,9(20),10,12,15,17-nonaene
CID 58224716
3-chloro-2-(4-methoxyphenyl)-1-phenyl-1H-indene
CID 162400228
(9R,18S,27R)-9,18,27-tris(3-methoxyphenyl)heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 11592706
bis(3-chloro-2-methyl-1H-inden-1-yl)-diethylsilane
CID 141235174
9-(3-chlorophenyl)-1,2,3-trimethoxy-9H-fluorene
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CID 21411660
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9-[2-(9H-fluoren-9-yl)-4-methylphenyl]-9H-fluorene
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-fluorophenyl)-2-methyl-1H-indene?
The IUPAC name of 3-chloro-1-(3-fluorophenyl)-2-methyl-1H-indene (CID 11276938) is 3-chloro-1-(3-fluorophenyl)-2-methyl-1H-indene.
What is the SMILES notation for 3-chloro-1-(3-fluorophenyl)-2-methyl-1H-indene?
The canonical SMILES for 3-chloro-1-(3-fluorophenyl)-2-methyl-1H-indene is CC1=C(Cl)c2ccccc2C1c1cccc(F)c1.
What is the InChIKey of 3-chloro-1-(3-fluorophenyl)-2-methyl-1H-indene?
The InChIKey is MLQZYIXSGWIRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF/c1-10-15(11-5-4-6-12(18)9-11)13-7-2-3-8-14(13)16(10)17/h2-9,15H,1H3.
What are the key properties of 3-chloro-1-(3-fluorophenyl)-2-methyl-1H-indene?
3-chloro-1-(3-fluorophenyl)-2-methyl-1H-indene has a molecular weight of 258.72 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-fluorophenyl)-2-methyl-1H-indene is sourced from PubChem (CID 11276938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).