3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole

C19H16F3N — CID 156815770

IUPAC3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole
SMILESFc1ccc(-c2[nH]c3c(F)cc(F)cc3c2CC2CCC2)cc1
InChIInChI=1S/C19H16F3N/c20-13-6-4-12(5-7-13)18-15(8-11-2-1-3-11)16-9-14(21)10-17(22)19(16)23-18/h4-7,9-11,23H,1-3,8H2
InChIKeyQYLRYNUWGWIVJR-UHFFFAOYSA-N
MW315.34 g/mol
LogP5.59
Rot. Bonds3

About 3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole

3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole (PubChem CID 156815770) has the molecular formula C19H16F3N and a molecular weight of 315.34 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole
PubChem CID156815770
Molecular FormulaC19H16F3N
Molecular Weight315.34 g/mol
Exact Mass315.12
IUPAC Name3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole
SMILESFc1ccc(-c2[nH]c3c(F)cc(F)cc3c2CC2CCC2)cc1
InChIInChI=1S/C19H16F3N/c20-13-6-4-12(5-7-13)18-15(8-11-2-1-3-11)16-9-14(21)10-17(22)19(16)23-18/h4-7,9-11,23H,1-3,8H2
InChIKeyQYLRYNUWGWIVJR-UHFFFAOYSA-N
XLogP5.59
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.34
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutane-1-carboxylic acid
CID 156816062
cyclopropyl-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]methanone
CID 162389674
(2S)-N-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutyl]-2-hydroxypropanamide
CID 177116306
[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone
CID 162389716
3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide
CID 156816294
3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-[(1-hydroxycyclopentyl)methyl]cyclobutane-1-carboxamide
CID 156816312
1-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]azetidin-1-yl]-6-hydroxyhexan-1-one
CID 167310846
N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]cyclobutanamine
CID 162389562
3-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopentane-1-carboxylic acid
CID 175447345
N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide
CID 166585688
3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(2,3-dihydroxy-2-methylpropyl)cyclobutane-1-carboxamide
CID 166008637
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-2,2-difluoropropan-1-amine
CID 166586021

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole?
The IUPAC name of 3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole (CID 156815770) is 3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole.
What is the SMILES notation for 3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole?
The canonical SMILES for 3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole is Fc1ccc(-c2[nH]c3c(F)cc(F)cc3c2CC2CCC2)cc1.
What is the InChIKey of 3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole?
The InChIKey is QYLRYNUWGWIVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N/c20-13-6-4-12(5-7-13)18-15(8-11-2-1-3-11)16-9-14(21)10-17(22)19(16)23-18/h4-7,9-11,23H,1-3,8H2.
What are the key properties of 3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole?
3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole has a molecular weight of 315.34 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole is sourced from PubChem (CID 156815770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).