2-(2,6-difluorophenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine

C11H12F5N — CID 66206579

IUPAC2-(2,6-difluorophenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine
SMILESCCNC(C)(c1c(F)cccc1F)C(F)(F)F
InChIInChI=1S/C11H12F5N/c1-3-17-10(2,11(14,15)16)9-7(12)5-4-6-8(9)13/h4-6,17H,3H2,1-2H3
InChIKeyTVRLSKDNEHOUFF-UHFFFAOYSA-N
MW253.21 g/mol
LogP3.35
Rot. Bonds3

About 2-(2,6-difluorophenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine

2-(2,6-difluorophenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine (PubChem CID 66206579) has the molecular formula C11H12F5N and a molecular weight of 253.21 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine
PubChem CID66206579
Molecular FormulaC11H12F5N
Molecular Weight253.21 g/mol
Exact Mass253.09
IUPAC Name2-(2,6-difluorophenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine
SMILESCCNC(C)(c1c(F)cccc1F)C(F)(F)F
InChIInChI=1S/C11H12F5N/c1-3-17-10(2,11(14,15)16)9-7(12)5-4-6-8(9)13/h4-6,17H,3H2,1-2H3
InChIKeyTVRLSKDNEHOUFF-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 2-(2,6-difluorophenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine (CID 66206579) is 2-(2,6-difluorophenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine is CCNC(C)(c1c(F)cccc1F)C(F)(F)F.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine?
The InChIKey is TVRLSKDNEHOUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5N/c1-3-17-10(2,11(14,15)16)9-7(12)5-4-6-8(9)13/h4-6,17H,3H2,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine?
2-(2,6-difluorophenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine has a molecular weight of 253.21 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 66206579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).