1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine

C12H14F5NO — CID 55205483

IUPAC1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCC(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C12H14F5NO/c1-7(18)4-8-2-3-10(19-6-11(13)14)9(5-8)12(15,16)17/h2-3,5,7,11H,4,6,18H2,1H3
InChIKeyATFQEAPJVRCIJQ-UHFFFAOYSA-N
MW283.24 g/mol
LogP3.24
Rot. Bonds5

About 1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine

1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 55205483) has the molecular formula C12H14F5NO and a molecular weight of 283.24 g/mol. Its IUPAC name is 1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID55205483
Molecular FormulaC12H14F5NO
Molecular Weight283.24 g/mol
Exact Mass283.10
IUPAC Name1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCC(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C12H14F5NO/c1-7(18)4-8-2-3-10(19-6-11(13)14)9(5-8)12(15,16)17/h2-3,5,7,11H,4,6,18H2,1H3
InChIKeyATFQEAPJVRCIJQ-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]butan-2-amine
CID 63320732
1-[4-(methoxymethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
CID 65364910
1-[4-pentoxy-3-(trifluoromethyl)phenyl]propan-2-amine
CID 63320382
methyl 2-[4-(2-aminopropyl)-2-(trifluoromethyl)phenoxy]acetate
CID 63320686
1-[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
CID 63320553
1-[4-(oxolan-3-ylmethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
CID 63320730
1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine
CID 77492759
1-[4-ethoxy-3-(trifluoromethyl)phenyl]butan-2-amine;hydrochloride
CID 170890489
2-[4-[(2S)-2-methoxypropoxy]-3-(trifluoromethyl)phenyl]ethanamine
CID 69293709
1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol
CID 117339948
2-[4-(2-aminobutyl)-2-(trifluoromethyl)phenoxy]propanenitrile
CID 63320250
1-[4-(3-fluoropropoxy)-3-(trifluoromethyl)phenyl]butan-2-amine
CID 81114854

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine (CID 55205483) is 1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine is CC(N)Cc1ccc(OCC(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is ATFQEAPJVRCIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5NO/c1-7(18)4-8-2-3-10(19-6-11(13)14)9(5-8)12(15,16)17/h2-3,5,7,11H,4,6,18H2,1H3.
What are the key properties of 1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine?
1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 283.24 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 55205483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).