1-methyl-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]indole

C13H12F3N — CID 130328005

IUPAC1-methyl-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]indole
SMILESC/C(=C\c1cn(C)c2ccccc12)C(F)(F)F
InChIInChI=1S/C13H12F3N/c1-9(13(14,15)16)7-10-8-17(2)12-6-4-3-5-11(10)12/h3-8H,1-2H3/b9-7+
InChIKeyCOGUYTCZCDSZDB-VQHVLOKHSA-N
MW239.24 g/mol
LogP4.14
Rot. Bonds1

About 1-methyl-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]indole

1-methyl-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]indole (PubChem CID 130328005) has the molecular formula C13H12F3N and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-methyl-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]indole.

Molecular Properties

Compound Name1-methyl-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]indole
PubChem CID130328005
Molecular FormulaC13H12F3N
Molecular Weight239.24 g/mol
Exact Mass239.09
IUPAC Name1-methyl-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]indole
SMILESC/C(=C\c1cn(C)c2ccccc12)C(F)(F)F
InChIInChI=1S/C13H12F3N/c1-9(13(14,15)16)7-10-8-17(2)12-6-4-3-5-11(10)12/h3-8H,1-2H3/b9-7+
InChIKeyCOGUYTCZCDSZDB-VQHVLOKHSA-N
XLogP4.14
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 736407
1-methyl-3-[(E)-2-nitroprop-1-enyl]indole
CID 5286025
ethane;(E)-4-(1-methylindol-3-yl)but-3-en-2-one
CID 144546894
CID 58652160
CID 58652160
(E)-4-(1-methylindol-3-yl)but-3-en-2-ol
CID 6852139
(2Z)-3-methyl-2-[(1-methylindol-3-yl)methylidene]butanal
CID 107236547
4-[(E)-2-(1-methylindol-3-yl)ethenyl]quinoline
CID 6282159
(E)-4,4,4-trifluoro-3-(1-methylindol-3-yl)but-2-enal
CID 15372742
[(E)-1-ethoxy-2-(1-methylindol-3-yl)ethenoxy]-trimethylsilane
CID 23559623
1-[4-[(E)-2-(1-methylindol-3-yl)ethenyl]phenyl]propan-2-one
CID 89385692
1-methyl-3-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]indole
CID 918978
methyl (Z)-3-(1-methylindol-3-yl)-2-nitroprop-2-enoate
CID 2207895

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]indole?
The IUPAC name of 1-methyl-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]indole (CID 130328005) is 1-methyl-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]indole.
What is the SMILES notation for 1-methyl-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]indole?
The canonical SMILES for 1-methyl-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]indole is C/C(=C\c1cn(C)c2ccccc12)C(F)(F)F.
What is the InChIKey of 1-methyl-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]indole?
The InChIKey is COGUYTCZCDSZDB-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H12F3N/c1-9(13(14,15)16)7-10-8-17(2)12-6-4-3-5-11(10)12/h3-8H,1-2H3/b9-7+.
What are the key properties of 1-methyl-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]indole?
1-methyl-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]indole has a molecular weight of 239.24 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]indole is sourced from PubChem (CID 130328005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).