4,4,4-trifluoro-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide

C19H13F10NO2 — CID 130262024

IUPAC4,4,4-trifluoro-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide
SMILESO=C(CCC(F)(F)F)Nc1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2F)cc1
InChIInChI=1S/C19H13F10NO2/c20-14-9-11(17(32,18(24,25)26)19(27,28)29)3-6-13(14)10-1-4-12(5-2-10)30-15(31)7-8-16(21,22)23/h1-6,9,32H,7-8H2,(H,30,31)
InChIKeyKIEKUFHUMVYJEP-UHFFFAOYSA-N
MW477.30 g/mol
LogP6.09
Rot. Bonds5

About 4,4,4-trifluoro-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide

4,4,4-trifluoro-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide (PubChem CID 130262024) has the molecular formula C19H13F10NO2 and a molecular weight of 477.30 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide
PubChem CID130262024
Molecular FormulaC19H13F10NO2
Molecular Weight477.30 g/mol
Exact Mass477.08
IUPAC Name4,4,4-trifluoro-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide
SMILESO=C(CCC(F)(F)F)Nc1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2F)cc1
InChIInChI=1S/C19H13F10NO2/c20-14-9-11(17(32,18(24,25)26)19(27,28)29)3-6-13(14)10-1-4-12(5-2-10)30-15(31)7-8-16(21,22)23/h1-6,9,32H,7-8H2,(H,30,31)
InChIKeyKIEKUFHUMVYJEP-UHFFFAOYSA-N
XLogP6.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.30
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenyl)-4-(trifluoromethyl)benzamide
CID 17980288
N-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenyl)acetamide
CID 2323445
N-[2-(2,2,2-Trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-butyramide
CID 10022595
N-butyl-3-phenyl-N-[4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)phenyl]propionamide
CID 10114592
Cyclopropanecarboxylic acid [2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-amide
CID 10362210
N-[2-(2,2,2-Trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-propionamide
CID 10451456
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide
CID 20704188
N-[2'-Fluoro-4'-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl][1,1'biphenyl]-4-yl]-2-nitrobenzeneacetamide
CID 130248006
N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]heptanamide
CID 130261792
Methyl 5-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]anilino]-5-oxopentanoate
CID 130261825
Methyl 4-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]anilino]-4-oxobutanoate
CID 130263494
2-(2-aminophenyl)-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]acetamide
CID 141761791

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide (CID 130262024) is 4,4,4-trifluoro-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide is O=C(CCC(F)(F)F)Nc1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2F)cc1.
What is the InChIKey of 4,4,4-trifluoro-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide?
The InChIKey is KIEKUFHUMVYJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F10NO2/c20-14-9-11(17(32,18(24,25)26)19(27,28)29)3-6-13(14)10-1-4-12(5-2-10)30-15(31)7-8-16(21,22)23/h1-6,9,32H,7-8H2,(H,30,31).
What are the key properties of 4,4,4-trifluoro-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide?
4,4,4-trifluoro-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide has a molecular weight of 477.30 g/mol, XLogP of 6.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide is sourced from PubChem (CID 130262024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).