6-fluoro-1,2-dimethyl-3a,7a-dihydroindole

C10H12FN — CID 143750133

IUPAC6-fluoro-1,2-dimethyl-3a,7a-dihydroindole
SMILESCC1=CC2C=CC(F)=CC2N1C
InChIInChI=1S/C10H12FN/c1-7-5-8-3-4-9(11)6-10(8)12(7)2/h3-6,8,10H,1-2H3
InChIKeyZSOTVPYBTVYSGZ-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.24
Rot. Bonds

About 6-fluoro-1,2-dimethyl-3a,7a-dihydroindole

6-fluoro-1,2-dimethyl-3a,7a-dihydroindole (PubChem CID 143750133) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 6-fluoro-1,2-dimethyl-3a,7a-dihydroindole.

Molecular Properties

Compound Name6-fluoro-1,2-dimethyl-3a,7a-dihydroindole
PubChem CID143750133
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name6-fluoro-1,2-dimethyl-3a,7a-dihydroindole
SMILESCC1=CC2C=CC(F)=CC2N1C
InChIInChI=1S/C10H12FN/c1-7-5-8-3-4-9(11)6-10(8)12(7)2/h3-6,8,10H,1-2H3
InChIKeyZSOTVPYBTVYSGZ-UHFFFAOYSA-N
XLogP2.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-But-3-enyl-4-fluoro-7-azabicyclo[2.2.1]hepta-1(6),2-diene
CID 67741576
2-[(Z)-1-fluorobut-1-enyl]-3a,7a-dihydro-1H-indole
CID 68403127
1-(5-Fluoro-4-methylcyclohexa-1,5-dien-1-yl)azetidine
CID 89167050
6-Fluoro-1-methyl-2,3,6,7-tetrahydroindole
CID 89202987
(3R)-1-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)-3-fluoropyrrolidine
CID 118618026
N-but-1-en-2-yl-3-fluoro-6-methyl-N-propylcyclohexa-2,4-dien-1-amine
CID 142020198
2-ethyl-1-methyl-6-(trifluoromethyl)-2H-pyridine
CID 143502253
6-fluoro-1,2-dimethyl-3-[(E)-prop-1-enyl]-3a,7a-dihydroindole
CID 143750107
(3E,5Z,8Z)-4-fluoro-1,6,7,9-tetramethyl-2,7-dihydroazonine
CID 143750155
1-Ethyl-5-fluoro-3-methyl-3a,7a-dihydroindole
CID 146221699
[1-(2-Fluoroethyl)-3a,7a-dihydroindol-5-yl]methanamine
CID 146245942
3-(fluoromethyl)-1,2-dimethyl-5-methylidene-2H-pyrrole
CID 146290476

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,2-dimethyl-3a,7a-dihydroindole?
The IUPAC name of 6-fluoro-1,2-dimethyl-3a,7a-dihydroindole (CID 143750133) is 6-fluoro-1,2-dimethyl-3a,7a-dihydroindole.
What is the SMILES notation for 6-fluoro-1,2-dimethyl-3a,7a-dihydroindole?
The canonical SMILES for 6-fluoro-1,2-dimethyl-3a,7a-dihydroindole is CC1=CC2C=CC(F)=CC2N1C.
What is the InChIKey of 6-fluoro-1,2-dimethyl-3a,7a-dihydroindole?
The InChIKey is ZSOTVPYBTVYSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c1-7-5-8-3-4-9(11)6-10(8)12(7)2/h3-6,8,10H,1-2H3.
What are the key properties of 6-fluoro-1,2-dimethyl-3a,7a-dihydroindole?
6-fluoro-1,2-dimethyl-3a,7a-dihydroindole has a molecular weight of 165.21 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,2-dimethyl-3a,7a-dihydroindole is sourced from PubChem (CID 143750133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).