5-fluoro-1-[(3-fluorophenyl)methyl]indole

C15H11F2N — CID 63852171

IUPAC5-fluoro-1-[(3-fluorophenyl)methyl]indole
SMILESFc1cccc(Cn2ccc3cc(F)ccc32)c1
InChIInChI=1S/C15H11F2N/c16-13-3-1-2-11(8-13)10-18-7-6-12-9-14(17)4-5-15(12)18/h1-9H,10H2
InChIKeyOKYPMMLLDKEJGR-UHFFFAOYSA-N
MW243.26 g/mol
LogP3.97
Rot. Bonds2

About 5-fluoro-1-[(3-fluorophenyl)methyl]indole

5-fluoro-1-[(3-fluorophenyl)methyl]indole (PubChem CID 63852171) has the molecular formula C15H11F2N and a molecular weight of 243.26 g/mol. Its IUPAC name is 5-fluoro-1-[(3-fluorophenyl)methyl]indole.

Molecular Properties

Compound Name5-fluoro-1-[(3-fluorophenyl)methyl]indole
PubChem CID63852171
Molecular FormulaC15H11F2N
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name5-fluoro-1-[(3-fluorophenyl)methyl]indole
SMILESFc1cccc(Cn2ccc3cc(F)ccc32)c1
InChIInChI=1S/C15H11F2N/c16-13-3-1-2-11(8-13)10-18-7-6-12-9-14(17)4-5-15(12)18/h1-9H,10H2
InChIKeyOKYPMMLLDKEJGR-UHFFFAOYSA-N
XLogP3.97
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-1-[(3-fluorophenyl)methyl]indole
CID 4284704
1-[(3-fluorophenyl)methyl]-5-propoxyindole
CID 116625580
2-bromo-5-[(5-fluoroindol-1-yl)methyl]aniline
CID 115557370
5-bromo-1-[(3,5-difluorophenyl)methyl]indole
CID 105409253
N-(4-chlorophenyl)-1-[1-[(3-fluorophenyl)methyl]indol-5-yl]methanimine
CID 126249418
1-[(3-fluorophenyl)methyl]indole-6-carbonitrile
CID 91690035
1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-naphthalen-2-ylmethanimine
CID 126245022
5-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126236974
(5Z)-5-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126243315
[(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]urea
CID 126247362
5-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126255660
4-[(5-fluoroindol-1-yl)methyl]pyridine-2-carbonitrile
CID 63882015

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(3-fluorophenyl)methyl]indole?
The IUPAC name of 5-fluoro-1-[(3-fluorophenyl)methyl]indole (CID 63852171) is 5-fluoro-1-[(3-fluorophenyl)methyl]indole.
What is the SMILES notation for 5-fluoro-1-[(3-fluorophenyl)methyl]indole?
The canonical SMILES for 5-fluoro-1-[(3-fluorophenyl)methyl]indole is Fc1cccc(Cn2ccc3cc(F)ccc32)c1.
What is the InChIKey of 5-fluoro-1-[(3-fluorophenyl)methyl]indole?
The InChIKey is OKYPMMLLDKEJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N/c16-13-3-1-2-11(8-13)10-18-7-6-12-9-14(17)4-5-15(12)18/h1-9H,10H2.
What are the key properties of 5-fluoro-1-[(3-fluorophenyl)methyl]indole?
5-fluoro-1-[(3-fluorophenyl)methyl]indole has a molecular weight of 243.26 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(3-fluorophenyl)methyl]indole is sourced from PubChem (CID 63852171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).