4,4-difluoro-5-(4-fluorophenyl)pentanamide

C11H12F3NO — CID 67372008

IUPAC4,4-difluoro-5-(4-fluorophenyl)pentanamide
SMILESNC(=O)CCC(F)(F)Cc1ccc(F)cc1
InChIInChI=1S/C11H12F3NO/c12-9-3-1-8(2-4-9)7-11(13,14)6-5-10(15)16/h1-4H,5-7H2,(H2,15,16)
InChIKeySMNWQXKSCUJGEF-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.27
Rot. Bonds5

About 4,4-difluoro-5-(4-fluorophenyl)pentanamide

4,4-difluoro-5-(4-fluorophenyl)pentanamide (PubChem CID 67372008) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 4,4-difluoro-5-(4-fluorophenyl)pentanamide.

Molecular Properties

Compound Name4,4-difluoro-5-(4-fluorophenyl)pentanamide
PubChem CID67372008
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name4,4-difluoro-5-(4-fluorophenyl)pentanamide
SMILESNC(=O)CCC(F)(F)Cc1ccc(F)cc1
InChIInChI=1S/C11H12F3NO/c12-9-3-1-8(2-4-9)7-11(13,14)6-5-10(15)16/h1-4H,5-7H2,(H2,15,16)
InChIKeySMNWQXKSCUJGEF-UHFFFAOYSA-N
XLogP2.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 114834276
3-[4-(4-fluorophenyl)phenyl]propanamide
CID 150390429
11-(4-fluorophenyl)undecanamide
CID 144640590
2,2,4,4-tetrabromo-1,5-bis(4-fluorophenyl)pentan-3-one
CID 174940474
S-(7-amino-7-oxoheptyl) 3-(4-fluorophenyl)propanethioate
CID 163269993
5,5,5-trifluoro-1-(4-fluorophenyl)pentan-2-one
CID 64565924
3-(4-fluorophenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanamide
CID 114831963
N',N'-bis[(4-fluorophenyl)methyl]propanediamide
CID 69286403
2-(4-fluorophenyl)ethyl 2,2,2-trifluoroacetate
CID 69117712
3-[4-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 91686884
1-fluoro-4-(2,2,3,3,3-pentafluoropropyl)benzene
CID 139245533
4-(4-fluorophenoxy)butanamide
CID 43244704

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-5-(4-fluorophenyl)pentanamide?
The IUPAC name of 4,4-difluoro-5-(4-fluorophenyl)pentanamide (CID 67372008) is 4,4-difluoro-5-(4-fluorophenyl)pentanamide.
What is the SMILES notation for 4,4-difluoro-5-(4-fluorophenyl)pentanamide?
The canonical SMILES for 4,4-difluoro-5-(4-fluorophenyl)pentanamide is NC(=O)CCC(F)(F)Cc1ccc(F)cc1.
What is the InChIKey of 4,4-difluoro-5-(4-fluorophenyl)pentanamide?
The InChIKey is SMNWQXKSCUJGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-9-3-1-8(2-4-9)7-11(13,14)6-5-10(15)16/h1-4H,5-7H2,(H2,15,16).
What are the key properties of 4,4-difluoro-5-(4-fluorophenyl)pentanamide?
4,4-difluoro-5-(4-fluorophenyl)pentanamide has a molecular weight of 231.22 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-5-(4-fluorophenyl)pentanamide is sourced from PubChem (CID 67372008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).