N-(5-amino-1,1-difluoropentan-2-yl)propanamide

C8H16F2N2O — CID 22752181

IUPACN-(5-amino-1,1-difluoropentan-2-yl)propanamide
SMILESCCC(=O)NC(CCCN)C(F)F
InChIInChI=1S/C8H16F2N2O/c1-2-7(13)12-6(8(9)10)4-3-5-11/h6,8H,2-5,11H2,1H3,(H,12,13)
InChIKeyDUDSSOXEJOUNCJ-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.89
Rot. Bonds6

About N-(5-amino-1,1-difluoropentan-2-yl)propanamide

N-(5-amino-1,1-difluoropentan-2-yl)propanamide (PubChem CID 22752181) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is N-(5-amino-1,1-difluoropentan-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-1,1-difluoropentan-2-yl)propanamide
PubChem CID22752181
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC NameN-(5-amino-1,1-difluoropentan-2-yl)propanamide
SMILESCCC(=O)NC(CCCN)C(F)F
InChIInChI=1S/C8H16F2N2O/c1-2-7(13)12-6(8(9)10)4-3-5-11/h6,8H,2-5,11H2,1H3,(H,12,13)
InChIKeyDUDSSOXEJOUNCJ-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4196056
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CID 557702
n-Dodecyl-2,2,2-trifluoroacetamide
CID 611266
2,2,3,3,4,4,4-Heptafluoro-N-hexylbutanamide
CID 540603
2,2,3,3,4,4,4-Heptafluoro-n-pentylbutanamide
CID 614724
N-(2-Butyl)heptafluorobutyramide
CID 617516
2,2,3,3,4,4,4-heptafluoro-N-heptan-2-ylbutanamide
CID 4686073
N-Trifluoroacetyl-2-octylamine
CID 529469
1-Aminopentane PFP
CID 600673
Pentafluoropropanamide, N-octyl-
CID 600760
Pentafluoropropanamide, N-nonyl-
CID 600778
1-Aminohexane, PFP
CID 600779

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,1-difluoropentan-2-yl)propanamide?
The IUPAC name of N-(5-amino-1,1-difluoropentan-2-yl)propanamide (CID 22752181) is N-(5-amino-1,1-difluoropentan-2-yl)propanamide.
What is the SMILES notation for N-(5-amino-1,1-difluoropentan-2-yl)propanamide?
The canonical SMILES for N-(5-amino-1,1-difluoropentan-2-yl)propanamide is CCC(=O)NC(CCCN)C(F)F.
What is the InChIKey of N-(5-amino-1,1-difluoropentan-2-yl)propanamide?
The InChIKey is DUDSSOXEJOUNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-2-7(13)12-6(8(9)10)4-3-5-11/h6,8H,2-5,11H2,1H3,(H,12,13).
What are the key properties of N-(5-amino-1,1-difluoropentan-2-yl)propanamide?
N-(5-amino-1,1-difluoropentan-2-yl)propanamide has a molecular weight of 194.22 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,1-difluoropentan-2-yl)propanamide is sourced from PubChem (CID 22752181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).