3-(1,1-difluoroethyl)-5-fluoro-2,3-dihydro-1H-indole

C10H10F3N — CID 84669875

IUPAC3-(1,1-difluoroethyl)-5-fluoro-2,3-dihydro-1H-indole
SMILESCC(F)(F)C1CNc2ccc(F)cc21
InChIInChI=1S/C10H10F3N/c1-10(12,13)8-5-14-9-3-2-6(11)4-7(8)9/h2-4,8,14H,5H2,1H3
InChIKeyANQMELIOICTBQC-UHFFFAOYSA-N
MW201.19 g/mol
LogP2.99
Rot. Bonds1

About 3-(1,1-difluoroethyl)-5-fluoro-2,3-dihydro-1H-indole

3-(1,1-difluoroethyl)-5-fluoro-2,3-dihydro-1H-indole (PubChem CID 84669875) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-5-fluoro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-5-fluoro-2,3-dihydro-1H-indole
PubChem CID84669875
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name3-(1,1-difluoroethyl)-5-fluoro-2,3-dihydro-1H-indole
SMILESCC(F)(F)C1CNc2ccc(F)cc21
InChIInChI=1S/C10H10F3N/c1-10(12,13)8-5-14-9-3-2-6(11)4-7(8)9/h2-4,8,14H,5H2,1H3
InChIKeyANQMELIOICTBQC-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-3,4-dimethyl-1,2,3,4-tetrahydroquinoline
CID 84618460
3-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986085
5-fluoro-2,3-dihydro-1H-indol-3-amine
CID 84739506
5-fluoro-3-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]-2,3-dihydro-1H-indole
CID 50902602
5-fluoro-3-propyl-2,3-dihydro-1H-indole
CID 70323615
(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl acetate
CID 172766683
5-fluoro-3-(4-methylpentan-2-yl)-2,3-dihydro-1H-indole
CID 106985857
2-(5-chloro-2,3-dihydro-1H-indol-3-yl)propan-2-ol
CID 117202115
2-amino-2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)acetic acid
CID 83860447
O-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine
CID 117202128
5-methyl-3-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole
CID 106820145
3-(1-cyclohexylethyl)-5-fluoro-2,3-dihydro-1H-indole
CID 106985960

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-5-fluoro-2,3-dihydro-1H-indole?
The IUPAC name of 3-(1,1-difluoroethyl)-5-fluoro-2,3-dihydro-1H-indole (CID 84669875) is 3-(1,1-difluoroethyl)-5-fluoro-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(1,1-difluoroethyl)-5-fluoro-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(1,1-difluoroethyl)-5-fluoro-2,3-dihydro-1H-indole is CC(F)(F)C1CNc2ccc(F)cc21.
What is the InChIKey of 3-(1,1-difluoroethyl)-5-fluoro-2,3-dihydro-1H-indole?
The InChIKey is ANQMELIOICTBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N/c1-10(12,13)8-5-14-9-3-2-6(11)4-7(8)9/h2-4,8,14H,5H2,1H3.
What are the key properties of 3-(1,1-difluoroethyl)-5-fluoro-2,3-dihydro-1H-indole?
3-(1,1-difluoroethyl)-5-fluoro-2,3-dihydro-1H-indole has a molecular weight of 201.19 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-5-fluoro-2,3-dihydro-1H-indole is sourced from PubChem (CID 84669875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).