1,1,1,3,3,3-hexafluoropropan-2-yl 2-anilino-2-phenylacetate

C17H13F6NO2 — CID 54479423

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl 2-anilino-2-phenylacetate
SMILESO=C(OC(C(F)(F)F)C(F)(F)F)C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H13F6NO2/c18-16(19,20)15(17(21,22)23)26-14(25)13(11-7-3-1-4-8-11)24-12-9-5-2-6-10-12/h1-10,13,15,24H
InChIKeyXNYCSLDYFVSLAR-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.88
Rot. Bonds5

About 1,1,1,3,3,3-hexafluoropropan-2-yl 2-anilino-2-phenylacetate

1,1,1,3,3,3-hexafluoropropan-2-yl 2-anilino-2-phenylacetate (PubChem CID 54479423) has the molecular formula C17H13F6NO2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 2-anilino-2-phenylacetate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl 2-anilino-2-phenylacetate
PubChem CID54479423
Molecular FormulaC17H13F6NO2
Molecular Weight377.28 g/mol
Exact Mass377.09
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl 2-anilino-2-phenylacetate
SMILESO=C(OC(C(F)(F)F)C(F)(F)F)C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H13F6NO2/c18-16(19,20)15(17(21,22)23)26-14(25)13(11-7-3-1-4-8-11)24-12-9-5-2-6-10-12/h1-10,13,15,24H
InChIKeyXNYCSLDYFVSLAR-UHFFFAOYSA-N
XLogP4.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

alpha-(Phenylamino)benzeneacetic acid
CID 19375
[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2380295
[2-(3-Fluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2425033
Tefinostat
CID 15940949
(2-Methylanilino)(phenyl)acetic acid
CID 43358
[2-(4-Fluoroanilino)-2-oxoethyl] 2-phenylacetate
CID 2335247
Phenyl-m-tolylamino-acetic acid
CID 304997
(4-Methylanilino)(phenyl)acetic acid
CID 304991
N-(2-(Dimethylamino)ethyl)-N,2-diphenylglycine ethyl ester
CID 59242
Glycine, N-(2-(diethylamino)ethyl)-N,2-diphenyl-, ethyl ester
CID 59464
Glycine, N-(2-(diethylamino)ethyl)-N,2-diphenyl-, butyl ester
CID 59710
N-(2-(Diethylamino)ethyl)-N,2-diphenylglycine isopentyl ester
CID 59738

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-anilino-2-phenylacetate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-anilino-2-phenylacetate (CID 54479423) is 1,1,1,3,3,3-hexafluoropropan-2-yl 2-anilino-2-phenylacetate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 2-anilino-2-phenylacetate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 2-anilino-2-phenylacetate is O=C(OC(C(F)(F)F)C(F)(F)F)C(Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-anilino-2-phenylacetate?
The InChIKey is XNYCSLDYFVSLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6NO2/c18-16(19,20)15(17(21,22)23)26-14(25)13(11-7-3-1-4-8-11)24-12-9-5-2-6-10-12/h1-10,13,15,24H.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-anilino-2-phenylacetate?
1,1,1,3,3,3-hexafluoropropan-2-yl 2-anilino-2-phenylacetate has a molecular weight of 377.28 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 2-anilino-2-phenylacetate is sourced from PubChem (CID 54479423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).