6-chloro-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole

C15H15ClFN — CID 163282324

IUPAC6-chloro-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole
SMILESCC1CN(CCF)c2ccc3c(Cl)cccc3c21
InChIInChI=1S/C15H15ClFN/c1-10-9-18(8-7-17)14-6-5-11-12(15(10)14)3-2-4-13(11)16/h2-6,10H,7-9H2,1H3
InChIKeyVMQDBHJBRVNPEU-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.39
Rot. Bonds2

About 6-chloro-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole

6-chloro-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole (PubChem CID 163282324) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is 6-chloro-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole.

Molecular Properties

Compound Name6-chloro-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole
PubChem CID163282324
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name6-chloro-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole
SMILESCC1CN(CCF)c2ccc3c(Cl)cccc3c21
InChIInChI=1S/C15H15ClFN/c1-10-9-18(8-7-17)14-6-5-11-12(15(10)14)3-2-4-13(11)16/h2-6,10H,7-9H2,1H3
InChIKeyVMQDBHJBRVNPEU-UHFFFAOYSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide
CID 155408366
6-bromo-1-methyl-3-(2,2,2-trifluoroethyl)-1,2-dihydrobenzo[e]indole
CID 163282318
1,3-dimethyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole
CID 163282328
(3R)-1-benzyl-4-fluoro-3-methyl-2,3-dihydroindole
CID 135054757
6-bromo-1-methyl-3-propan-2-yl-1,2-dihydrobenzo[e]indole
CID 163282285
(5-chloro-1-methylnaphthalen-2-yl)methanamine
CID 115057593
6-chloro-1-ethyl-3-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 104839614
1-(5-chloro-2-propylnaphthalen-1-yl)pyrrole-2,5-dione
CID 166071098
1-(1-ethyl-3-methyl-2,3-dihydroindol-4-yl)-N-methylethanamine
CID 117203088
3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 117200137
4-chloro-1-(3-fluoropropyl)indole
CID 116623866
6-bromo-3-(4-methoxyphenyl)-1-methyl-1,2-dihydrobenzo[e]indole
CID 163282260

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole?
The IUPAC name of 6-chloro-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole (CID 163282324) is 6-chloro-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole.
What is the SMILES notation for 6-chloro-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole?
The canonical SMILES for 6-chloro-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole is CC1CN(CCF)c2ccc3c(Cl)cccc3c21.
What is the InChIKey of 6-chloro-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole?
The InChIKey is VMQDBHJBRVNPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-10-9-18(8-7-17)14-6-5-11-12(15(10)14)3-2-4-13(11)16/h2-6,10H,7-9H2,1H3.
What are the key properties of 6-chloro-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole?
6-chloro-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole has a molecular weight of 263.74 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole is sourced from PubChem (CID 163282324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).