1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole

C15H10ClF2N — CID 114859510

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole
SMILESFc1cc(Cl)ccc1Cn1ccc2c(F)cccc21
InChIInChI=1S/C15H10ClF2N/c16-11-5-4-10(14(18)8-11)9-19-7-6-12-13(17)2-1-3-15(12)19/h1-8H,9H2
InChIKeyDDDURBQSCSMQSW-UHFFFAOYSA-N
MW277.70 g/mol
LogP4.62
Rot. Bonds2

About 1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole

1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole (PubChem CID 114859510) has the molecular formula C15H10ClF2N and a molecular weight of 277.70 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole
PubChem CID114859510
Molecular FormulaC15H10ClF2N
Molecular Weight277.70 g/mol
Exact Mass277.05
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole
SMILESFc1cc(Cl)ccc1Cn1ccc2c(F)cccc21
InChIInChI=1S/C15H10ClF2N/c16-11-5-4-10(14(18)8-11)9-19-7-6-12-13(17)2-1-3-15(12)19/h1-8H,9H2
InChIKeyDDDURBQSCSMQSW-UHFFFAOYSA-N
XLogP4.62
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.70
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(4-chloro-2-fluorophenyl)methyl]indol-4-yl]methanamine
CID 114851516
1-[(2,6-dichlorophenyl)methyl]-4-fluoroindole
CID 82795364
4-chloro-1-[(2,4-difluorophenyl)methyl]indole
CID 116623841
6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole
CID 114859541
4-chloro-1-[(2,5-difluorophenyl)methyl]indole
CID 116623695
1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole
CID 103050113
4-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole
CID 116623871
1-[(4-ethylphenyl)methyl]-4-fluoroindole
CID 82792470
1-[(4-bromophenyl)methyl]-4-fluoroindole
CID 82793563
2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 114859178
1-[(4-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde
CID 114851412
1-(3-chlorophenyl)-2-(4-fluoroindol-1-yl)ethanone
CID 82791619

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole (CID 114859510) is 1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole is Fc1cc(Cl)ccc1Cn1ccc2c(F)cccc21.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole?
The InChIKey is DDDURBQSCSMQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N/c16-11-5-4-10(14(18)8-11)9-19-7-6-12-13(17)2-1-3-15(12)19/h1-8H,9H2.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole?
1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole has a molecular weight of 277.70 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole is sourced from PubChem (CID 114859510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).