N-(2,2-difluoroethyl)pentanamide

C7H13F2NO — CID 87922259

IUPACN-(2,2-difluoroethyl)pentanamide
SMILESCCCCC(=O)NCC(F)F
InChIInChI=1S/C7H13F2NO/c1-2-3-4-7(11)10-5-6(8)9/h6H,2-5H2,1H3,(H,10,11)
InChIKeySZNQYDNLQWHSQB-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.56
Rot. Bonds5

About N-(2,2-difluoroethyl)pentanamide

N-(2,2-difluoroethyl)pentanamide (PubChem CID 87922259) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)pentanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)pentanamide
PubChem CID87922259
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC NameN-(2,2-difluoroethyl)pentanamide
SMILESCCCCC(=O)NCC(F)F
InChIInChI=1S/C7H13F2NO/c1-2-3-4-7(11)10-5-6(8)9/h6H,2-5H2,1H3,(H,10,11)
InChIKeySZNQYDNLQWHSQB-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)pentanamide?
The IUPAC name of N-(2,2-difluoroethyl)pentanamide (CID 87922259) is N-(2,2-difluoroethyl)pentanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)pentanamide?
The canonical SMILES for N-(2,2-difluoroethyl)pentanamide is CCCCC(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)pentanamide?
The InChIKey is SZNQYDNLQWHSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-2-3-4-7(11)10-5-6(8)9/h6H,2-5H2,1H3,(H,10,11).
What are the key properties of N-(2,2-difluoroethyl)pentanamide?
N-(2,2-difluoroethyl)pentanamide has a molecular weight of 165.18 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)pentanamide is sourced from PubChem (CID 87922259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).