3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole

C13H16F3N — CID 106986061

IUPAC3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCCC(C)C1CNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C13H16F3N/c1-3-8(2)11-7-17-12-5-4-9(6-10(11)12)13(14,15)16/h4-6,8,11,17H,3,7H2,1-2H3
InChIKeySXCSZXCXTAUBTL-UHFFFAOYSA-N
MW243.27 g/mol
LogP4.26
Rot. Bonds2

About 3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole

3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole (PubChem CID 106986061) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
PubChem CID106986061
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCCC(C)C1CNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C13H16F3N/c1-3-8(2)11-7-17-12-5-4-9(6-10(11)12)13(14,15)16/h4-6,8,11,17H,3,7H2,1-2H3
InChIKeySXCSZXCXTAUBTL-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-butan-2-yl-6-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole
CID 71158916
3-(2-methylpentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986184
N-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-2-amine
CID 117201677
3-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986085
2-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine
CID 83860329
5-fluoro-3-(4-methylpentan-2-yl)-2,3-dihydro-1H-indole
CID 106985857
3-(2-methylcyclopentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106985958
5-methyl-3-octan-2-yl-2,3-dihydro-1H-indole
CID 106820144
2-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
CID 115502366
benzene;2-methyl-4-[4-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-1-amine
CID 143454290
3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 63386100
3-bromo-4-[(3-butan-2-yl-2,3-dihydro-1H-indol-5-yl)oxy]aniline
CID 142086357

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole (CID 106986061) is 3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole is CCC(C)C1CNc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The InChIKey is SXCSZXCXTAUBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-3-8(2)11-7-17-12-5-4-9(6-10(11)12)13(14,15)16/h4-6,8,11,17H,3,7H2,1-2H3.
What are the key properties of 3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole has a molecular weight of 243.27 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 106986061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).