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

C20H18F7NO2 — CID 130262014

IUPACN-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2F)cc1
InChIInChI=1S/C20H18F7NO2/c1-2-3-4-17(29)28-14-8-5-12(6-9-14)15-10-7-13(11-16(15)21)18(30,19(22,23)24)20(25,26)27/h5-11,30H,2-4H2,1H3,(H,28,29)
InChIKeySUFZTAQHSUQWTN-UHFFFAOYSA-N
MW437.36 g/mol
LogP5.93
Rot. Bonds6

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

N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]pentanamide (PubChem CID 130262014) has the molecular formula C20H18F7NO2 and a molecular weight of 437.36 g/mol. Its IUPAC name is N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]pentanamide
PubChem CID130262014
Molecular FormulaC20H18F7NO2
Molecular Weight437.36 g/mol
Exact Mass437.12
IUPAC NameN-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2F)cc1
InChIInChI=1S/C20H18F7NO2/c1-2-3-4-17(29)28-14-8-5-12(6-9-14)15-10-7-13(11-16(15)21)18(30,19(22,23)24)20(25,26)27/h5-11,30H,2-4H2,1H3,(H,28,29)
InChIKeySUFZTAQHSUQWTN-UHFFFAOYSA-N
XLogP5.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.36
LogP ≤ 55.93
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
N-[2-(2,2,2-Trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-propionamide
CID 10451456
4-Methyl-pentanoic acid [2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-amide
CID 10476467
4-[(4-Propan-2-ylphenyl)carbamoyl]benzoic acid
CID 13632707
N-methyl-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]cyclohexanecarboxamide
CID 20704185
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]pentanamide?
The IUPAC name of N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]pentanamide (CID 130262014) is N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]pentanamide.
What is the SMILES notation for N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]pentanamide?
The canonical SMILES for N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]pentanamide is CCCCC(=O)Nc1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2F)cc1.
What is the InChIKey of N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]pentanamide?
The InChIKey is SUFZTAQHSUQWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F7NO2/c1-2-3-4-17(29)28-14-8-5-12(6-9-14)15-10-7-13(11-16(15)21)18(30,19(22,23)24)20(25,26)27/h5-11,30H,2-4H2,1H3,(H,28,29).
What are the key properties of N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]pentanamide?
N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]pentanamide has a molecular weight of 437.36 g/mol, XLogP of 5.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]pentanamide is sourced from PubChem (CID 130262014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).