3,3,3-trifluoro-1-(2-methylphenyl)-N-propyl-2-(trifluoromethyl)propan-1-amine

C14H17F6N — CID 103311710

IUPAC3,3,3-trifluoro-1-(2-methylphenyl)-N-propyl-2-(trifluoromethyl)propan-1-amine
SMILESCCCNC(c1ccccc1C)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H17F6N/c1-3-8-21-11(10-7-5-4-6-9(10)2)12(13(15,16)17)14(18,19)20/h4-7,11-12,21H,3,8H2,1-2H3
InChIKeyQIYCGMRVUMCINO-UHFFFAOYSA-N
MW313.29 g/mol
LogP4.78
Rot. Bonds5

About 3,3,3-trifluoro-1-(2-methylphenyl)-N-propyl-2-(trifluoromethyl)propan-1-amine

3,3,3-trifluoro-1-(2-methylphenyl)-N-propyl-2-(trifluoromethyl)propan-1-amine (PubChem CID 103311710) has the molecular formula C14H17F6N and a molecular weight of 313.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(2-methylphenyl)-N-propyl-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(2-methylphenyl)-N-propyl-2-(trifluoromethyl)propan-1-amine
PubChem CID103311710
Molecular FormulaC14H17F6N
Molecular Weight313.29 g/mol
Exact Mass313.13
IUPAC Name3,3,3-trifluoro-1-(2-methylphenyl)-N-propyl-2-(trifluoromethyl)propan-1-amine
SMILESCCCNC(c1ccccc1C)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H17F6N/c1-3-8-21-11(10-7-5-4-6-9(10)2)12(13(15,16)17)14(18,19)20/h4-7,11-12,21H,3,8H2,1-2H3
InChIKeyQIYCGMRVUMCINO-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(2-methylphenyl)-N-propyl-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(2-methylphenyl)-N-propyl-2-(trifluoromethyl)propan-1-amine (CID 103311710) is 3,3,3-trifluoro-1-(2-methylphenyl)-N-propyl-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(2-methylphenyl)-N-propyl-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(2-methylphenyl)-N-propyl-2-(trifluoromethyl)propan-1-amine is CCCNC(c1ccccc1C)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-(2-methylphenyl)-N-propyl-2-(trifluoromethyl)propan-1-amine?
The InChIKey is QIYCGMRVUMCINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F6N/c1-3-8-21-11(10-7-5-4-6-9(10)2)12(13(15,16)17)14(18,19)20/h4-7,11-12,21H,3,8H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-1-(2-methylphenyl)-N-propyl-2-(trifluoromethyl)propan-1-amine?
3,3,3-trifluoro-1-(2-methylphenyl)-N-propyl-2-(trifluoromethyl)propan-1-amine has a molecular weight of 313.29 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(2-methylphenyl)-N-propyl-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103311710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).