1-(3,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

C11H12F5NO — CID 103216527

IUPAC1-(3,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESNC(COCC(F)(F)F)Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H12F5NO/c12-8-1-7(2-9(13)4-8)3-10(17)5-18-6-11(14,15)16/h1-2,4,10H,3,5-6,17H2
InChIKeyKAUPHRNLTPNXMM-UHFFFAOYSA-N
MW269.21 g/mol
LogP2.41
Rot. Bonds5

About 1-(3,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

1-(3,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103216527) has the molecular formula C11H12F5NO and a molecular weight of 269.21 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103216527
Molecular FormulaC11H12F5NO
Molecular Weight269.21 g/mol
Exact Mass269.08
IUPAC Name1-(3,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESNC(COCC(F)(F)F)Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H12F5NO/c12-8-1-7(2-9(13)4-8)3-10(17)5-18-6-11(14,15)16/h1-2,4,10H,3,5-6,17H2
InChIKeyKAUPHRNLTPNXMM-UHFFFAOYSA-N
XLogP2.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214570
1-(2,2,2-trifluoroethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 103214868
1-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 103214849
1-(3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214941
1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214921
[1-(3,5-difluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 103217435
(2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol
CID 162341885
1-(3,5-difluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103029524
1-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 55095198
(2S)-4-chloro-1-(3,5-difluorophenyl)butan-2-amine
CID 89258105
1-(3,5-difluorophenyl)-4-methoxybutan-2-amine
CID 115601754
1-(3-bromo-5-fluorophenyl)-3-propan-2-yloxypropan-2-amine
CID 105169372

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103216527) is 1-(3,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is NC(COCC(F)(F)F)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is KAUPHRNLTPNXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5NO/c12-8-1-7(2-9(13)4-8)3-10(17)5-18-6-11(14,15)16/h1-2,4,10H,3,5-6,17H2.
What are the key properties of 1-(3,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-(3,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 269.21 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103216527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).