N,N,4-trimethyl-3-(trifluoromethyl)aniline

C10H12F3N — CID 20704976

IUPACN,N,4-trimethyl-3-(trifluoromethyl)aniline
SMILESCc1ccc(N(C)C)cc1C(F)(F)F
InChIInChI=1S/C10H12F3N/c1-7-4-5-8(14(2)3)6-9(7)10(11,12)13/h4-6H,1-3H3
InChIKeyBSEALTWUQGZZOG-UHFFFAOYSA-N
MW203.21 g/mol
LogP3.08
Rot. Bonds1

About N,N,4-trimethyl-3-(trifluoromethyl)aniline

N,N,4-trimethyl-3-(trifluoromethyl)aniline (PubChem CID 20704976) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is N,N,4-trimethyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN,N,4-trimethyl-3-(trifluoromethyl)aniline
PubChem CID20704976
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC NameN,N,4-trimethyl-3-(trifluoromethyl)aniline
SMILESCc1ccc(N(C)C)cc1C(F)(F)F
InChIInChI=1S/C10H12F3N/c1-7-4-5-8(14(2)3)6-9(7)10(11,12)13/h4-6H,1-3H3
InChIKeyBSEALTWUQGZZOG-UHFFFAOYSA-N
XLogP3.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-(trifluoromethyl)aniline?
The IUPAC name of N,N,4-trimethyl-3-(trifluoromethyl)aniline (CID 20704976) is N,N,4-trimethyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for N,N,4-trimethyl-3-(trifluoromethyl)aniline?
The canonical SMILES for N,N,4-trimethyl-3-(trifluoromethyl)aniline is Cc1ccc(N(C)C)cc1C(F)(F)F.
What is the InChIKey of N,N,4-trimethyl-3-(trifluoromethyl)aniline?
The InChIKey is BSEALTWUQGZZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-7-4-5-8(14(2)3)6-9(7)10(11,12)13/h4-6H,1-3H3.
What are the key properties of N,N,4-trimethyl-3-(trifluoromethyl)aniline?
N,N,4-trimethyl-3-(trifluoromethyl)aniline has a molecular weight of 203.21 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 20704976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).