1,3,3-trimethyl-2-methylidene-5-[2-(trifluoromethyl)phenyl]indole

C19H18F3N — CID 22062123

IUPAC1,3,3-trimethyl-2-methylidene-5-[2-(trifluoromethyl)phenyl]indole
SMILESC=C1N(C)c2ccc(-c3ccccc3C(F)(F)F)cc2C1(C)C
InChIInChI=1S/C19H18F3N/c1-12-18(2,3)16-11-13(9-10-17(16)23(12)4)14-7-5-6-8-15(14)19(20,21)22/h5-11H,1H2,2-4H3
InChIKeyPHZZCKHCTAUFII-UHFFFAOYSA-N
MW317.35 g/mol
LogP5.61
Rot. Bonds1

About 1,3,3-trimethyl-2-methylidene-5-[2-(trifluoromethyl)phenyl]indole

1,3,3-trimethyl-2-methylidene-5-[2-(trifluoromethyl)phenyl]indole (PubChem CID 22062123) has the molecular formula C19H18F3N and a molecular weight of 317.35 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-methylidene-5-[2-(trifluoromethyl)phenyl]indole.

Molecular Properties

Compound Name1,3,3-trimethyl-2-methylidene-5-[2-(trifluoromethyl)phenyl]indole
PubChem CID22062123
Molecular FormulaC19H18F3N
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name1,3,3-trimethyl-2-methylidene-5-[2-(trifluoromethyl)phenyl]indole
SMILESC=C1N(C)c2ccc(-c3ccccc3C(F)(F)F)cc2C1(C)C
InChIInChI=1S/C19H18F3N/c1-12-18(2,3)16-11-13(9-10-17(16)23(12)4)14-7-5-6-8-15(14)19(20,21)22/h5-11H,1H2,2-4H3
InChIKeyPHZZCKHCTAUFII-UHFFFAOYSA-N
XLogP5.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.35
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-methylidene-5-[2-(trifluoromethyl)phenyl]indole?
The IUPAC name of 1,3,3-trimethyl-2-methylidene-5-[2-(trifluoromethyl)phenyl]indole (CID 22062123) is 1,3,3-trimethyl-2-methylidene-5-[2-(trifluoromethyl)phenyl]indole.
What is the SMILES notation for 1,3,3-trimethyl-2-methylidene-5-[2-(trifluoromethyl)phenyl]indole?
The canonical SMILES for 1,3,3-trimethyl-2-methylidene-5-[2-(trifluoromethyl)phenyl]indole is C=C1N(C)c2ccc(-c3ccccc3C(F)(F)F)cc2C1(C)C.
What is the InChIKey of 1,3,3-trimethyl-2-methylidene-5-[2-(trifluoromethyl)phenyl]indole?
The InChIKey is PHZZCKHCTAUFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N/c1-12-18(2,3)16-11-13(9-10-17(16)23(12)4)14-7-5-6-8-15(14)19(20,21)22/h5-11H,1H2,2-4H3.
What are the key properties of 1,3,3-trimethyl-2-methylidene-5-[2-(trifluoromethyl)phenyl]indole?
1,3,3-trimethyl-2-methylidene-5-[2-(trifluoromethyl)phenyl]indole has a molecular weight of 317.35 g/mol, XLogP of 5.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-methylidene-5-[2-(trifluoromethyl)phenyl]indole is sourced from PubChem (CID 22062123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).