N,4-dimethyl-N-(3,3,3-trifluoropropyl)aniline

C11H14F3N — CID 146168994

IUPACN,4-dimethyl-N-(3,3,3-trifluoropropyl)aniline
SMILESCc1ccc(N(C)CCC(F)(F)F)cc1
InChIInChI=1S/C11H14F3N/c1-9-3-5-10(6-4-9)15(2)8-7-11(12,13)14/h3-6H,7-8H2,1-2H3
InChIKeyYCKYXLHRJVFMDC-UHFFFAOYSA-N
MW217.23 g/mol
LogP3.38
Rot. Bonds3

About N,4-dimethyl-N-(3,3,3-trifluoropropyl)aniline

N,4-dimethyl-N-(3,3,3-trifluoropropyl)aniline (PubChem CID 146168994) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is N,4-dimethyl-N-(3,3,3-trifluoropropyl)aniline.

Molecular Properties

Compound NameN,4-dimethyl-N-(3,3,3-trifluoropropyl)aniline
PubChem CID146168994
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC NameN,4-dimethyl-N-(3,3,3-trifluoropropyl)aniline
SMILESCc1ccc(N(C)CCC(F)(F)F)cc1
InChIInChI=1S/C11H14F3N/c1-9-3-5-10(6-4-9)15(2)8-7-11(12,13)14/h3-6H,7-8H2,1-2H3
InChIKeyYCKYXLHRJVFMDC-UHFFFAOYSA-N
XLogP3.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(3,3,3-trifluoropropyl)aniline?
The IUPAC name of N,4-dimethyl-N-(3,3,3-trifluoropropyl)aniline (CID 146168994) is N,4-dimethyl-N-(3,3,3-trifluoropropyl)aniline.
What is the SMILES notation for N,4-dimethyl-N-(3,3,3-trifluoropropyl)aniline?
The canonical SMILES for N,4-dimethyl-N-(3,3,3-trifluoropropyl)aniline is Cc1ccc(N(C)CCC(F)(F)F)cc1.
What is the InChIKey of N,4-dimethyl-N-(3,3,3-trifluoropropyl)aniline?
The InChIKey is YCKYXLHRJVFMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-9-3-5-10(6-4-9)15(2)8-7-11(12,13)14/h3-6H,7-8H2,1-2H3.
What are the key properties of N,4-dimethyl-N-(3,3,3-trifluoropropyl)aniline?
N,4-dimethyl-N-(3,3,3-trifluoropropyl)aniline has a molecular weight of 217.23 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(3,3,3-trifluoropropyl)aniline is sourced from PubChem (CID 146168994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).