6-fluoro-1,2-dimethyl-3-[(E)-prop-1-enyl]-3a,7a-dihydroindole

C13H16FN — CID 143750107

IUPAC6-fluoro-1,2-dimethyl-3-[(E)-prop-1-enyl]-3a,7a-dihydroindole
SMILESC/C=C/C1=C(C)N(C)C2C=C(F)C=CC12
InChIInChI=1S/C13H16FN/c1-4-5-11-9(2)15(3)13-8-10(14)6-7-12(11)13/h4-8,12-13H,1-3H3/b5-4+
InChIKeyUZRRARXUGDTQJP-SNAWJCMRSA-N
MW205.28 g/mol
LogP3.19
Rot. Bonds1

About 6-fluoro-1,2-dimethyl-3-[(E)-prop-1-enyl]-3a,7a-dihydroindole

6-fluoro-1,2-dimethyl-3-[(E)-prop-1-enyl]-3a,7a-dihydroindole (PubChem CID 143750107) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 6-fluoro-1,2-dimethyl-3-[(E)-prop-1-enyl]-3a,7a-dihydroindole.

Molecular Properties

Compound Name6-fluoro-1,2-dimethyl-3-[(E)-prop-1-enyl]-3a,7a-dihydroindole
PubChem CID143750107
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name6-fluoro-1,2-dimethyl-3-[(E)-prop-1-enyl]-3a,7a-dihydroindole
SMILESC/C=C/C1=C(C)N(C)C2C=C(F)C=CC12
InChIInChI=1S/C13H16FN/c1-4-5-11-9(2)15(3)13-8-10(14)6-7-12(11)13/h4-8,12-13H,1-3H3/b5-4+
InChIKeyUZRRARXUGDTQJP-SNAWJCMRSA-N
XLogP3.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-Fluoro-1-methyl-2,3,3a,4-tetrahydroindole
CID 68342126
6-Fluoro-1-methyl-2,3,6,7-tetrahydroindole
CID 89202987
6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine
CID 129156390
2-(2-Fluoropropan-2-yl)-6-prop-1-en-2-yl-1-azabicyclo[3.2.1]octa-2,4-diene
CID 129236268
2-(cyclobutylmethyl)-5-fluoro-1,3-dimethyl-7aH-indazole
CID 132127552
N-ethyl-4-methyl-N-propyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 141799769
N-but-1-en-2-yl-3-fluoro-6-methyl-N-propylcyclohexa-2,4-dien-1-amine
CID 142020198
6-Fluoro-1,2-dimethyl-3a,7a-dihydroindole
CID 143750133
5-Fluoro-3-methyl-3a,6,7,9b-tetrahydrobenzo[e]indole
CID 144442238
1-Ethyl-5-fluoro-3-methyl-3a,7a-dihydroindole
CID 146221699
3-(3-fluoropropyl)-1-methyl-6-propan-2-yl-2H-pyridine
CID 146538057
1-[(3Z)-4-ethenyl-5-methylhepta-1,3-dien-3-yl]-3,3-difluoropyrrolidine
CID 153362797

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,2-dimethyl-3-[(E)-prop-1-enyl]-3a,7a-dihydroindole?
The IUPAC name of 6-fluoro-1,2-dimethyl-3-[(E)-prop-1-enyl]-3a,7a-dihydroindole (CID 143750107) is 6-fluoro-1,2-dimethyl-3-[(E)-prop-1-enyl]-3a,7a-dihydroindole.
What is the SMILES notation for 6-fluoro-1,2-dimethyl-3-[(E)-prop-1-enyl]-3a,7a-dihydroindole?
The canonical SMILES for 6-fluoro-1,2-dimethyl-3-[(E)-prop-1-enyl]-3a,7a-dihydroindole is C/C=C/C1=C(C)N(C)C2C=C(F)C=CC12.
What is the InChIKey of 6-fluoro-1,2-dimethyl-3-[(E)-prop-1-enyl]-3a,7a-dihydroindole?
The InChIKey is UZRRARXUGDTQJP-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H16FN/c1-4-5-11-9(2)15(3)13-8-10(14)6-7-12(11)13/h4-8,12-13H,1-3H3/b5-4+.
What are the key properties of 6-fluoro-1,2-dimethyl-3-[(E)-prop-1-enyl]-3a,7a-dihydroindole?
6-fluoro-1,2-dimethyl-3-[(E)-prop-1-enyl]-3a,7a-dihydroindole has a molecular weight of 205.28 g/mol, XLogP of 3.19, 1 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-3-[(E)-prop-1-enyl]-3a,7a-dihydroindole is sourced from PubChem (CID 143750107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).