4-fluoro-2,2-dimethyl-1,3-dihydroindole

C10H12FN — CID 84717067

IUPAC4-fluoro-2,2-dimethyl-1,3-dihydroindole
SMILESCC1(C)Cc2c(F)cccc2N1
InChIInChI=1S/C10H12FN/c1-10(2)6-7-8(11)4-3-5-9(7)12-10/h3-5,12H,6H2,1-2H3
InChIKeyWFFRMXQRGBBCSK-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.57
Rot. Bonds

About 4-fluoro-2,2-dimethyl-1,3-dihydroindole

4-fluoro-2,2-dimethyl-1,3-dihydroindole (PubChem CID 84717067) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 4-fluoro-2,2-dimethyl-1,3-dihydroindole.

Molecular Properties

Compound Name4-fluoro-2,2-dimethyl-1,3-dihydroindole
PubChem CID84717067
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name4-fluoro-2,2-dimethyl-1,3-dihydroindole
SMILESCC1(C)Cc2c(F)cccc2N1
InChIInChI=1S/C10H12FN/c1-10(2)6-7-8(11)4-3-5-9(7)12-10/h3-5,12H,6H2,1-2H3
InChIKeyWFFRMXQRGBBCSK-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-4-fluoro-2-methyl-1,3-dihydroindole
CID 84718198
2,2-dimethyl-1,3-dihydroindole;ethane
CID 90930598
(3aS)-8-fluoro-3a-methyl-2,3,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1-one
CID 139091589
6-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
CID 130526508
5-fluoro-1,4-dihydro-3,1-benzoxazine-2-thione
CID 84768966
4-fluoro-2-methyl-2,3-dihydro-1H-indole
CID 57388225
6-chloro-2,2-dimethyl-1,3-dihydroindole
CID 84718600
6-fluoro-2,2-dimethyl-1,3-dihydroindole
CID 84717066
2-(4-fluoro-2,3-dihydro-1H-indol-2-yl)propan-2-ol
CID 117198627
1-chloro-4-fluoro-2,2-dimethyl-1,3-dihydroindene
CID 55264295
4,5-difluoro-4-methyl-2,3-dihydro-1H-quinoline
CID 84718702
methyl 2-ethyl-5-fluoro-3,4-dihydro-1H-quinoline-2-carboxylate
CID 117193410

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,2-dimethyl-1,3-dihydroindole?
The IUPAC name of 4-fluoro-2,2-dimethyl-1,3-dihydroindole (CID 84717067) is 4-fluoro-2,2-dimethyl-1,3-dihydroindole.
What is the SMILES notation for 4-fluoro-2,2-dimethyl-1,3-dihydroindole?
The canonical SMILES for 4-fluoro-2,2-dimethyl-1,3-dihydroindole is CC1(C)Cc2c(F)cccc2N1.
What is the InChIKey of 4-fluoro-2,2-dimethyl-1,3-dihydroindole?
The InChIKey is WFFRMXQRGBBCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c1-10(2)6-7-8(11)4-3-5-9(7)12-10/h3-5,12H,6H2,1-2H3.
What are the key properties of 4-fluoro-2,2-dimethyl-1,3-dihydroindole?
4-fluoro-2,2-dimethyl-1,3-dihydroindole has a molecular weight of 165.21 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,2-dimethyl-1,3-dihydroindole is sourced from PubChem (CID 84717067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).