N-butyl-3-(butylamino)-2,2-difluoropropanamide

C11H22F2N2O — CID 14093530

IUPACN-butyl-3-(butylamino)-2,2-difluoropropanamide
SMILESCCCCNCC(F)(F)C(=O)NCCCC
InChIInChI=1S/C11H22F2N2O/c1-3-5-7-14-9-11(12,13)10(16)15-8-6-4-2/h14H,3-9H2,1-2H3,(H,15,16)
InChIKeyMFRLAMPFTUXSRD-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.93
Rot. Bonds9

About N-butyl-3-(butylamino)-2,2-difluoropropanamide

N-butyl-3-(butylamino)-2,2-difluoropropanamide (PubChem CID 14093530) has the molecular formula C11H22F2N2O and a molecular weight of 236.31 g/mol. Its IUPAC name is N-butyl-3-(butylamino)-2,2-difluoropropanamide.

Molecular Properties

Compound NameN-butyl-3-(butylamino)-2,2-difluoropropanamide
PubChem CID14093530
Molecular FormulaC11H22F2N2O
Molecular Weight236.31 g/mol
Exact Mass236.17
IUPAC NameN-butyl-3-(butylamino)-2,2-difluoropropanamide
SMILESCCCCNCC(F)(F)C(=O)NCCCC
InChIInChI=1S/C11H22F2N2O/c1-3-5-7-14-9-11(12,13)10(16)15-8-6-4-2/h14H,3-9H2,1-2H3,(H,15,16)
InChIKeyMFRLAMPFTUXSRD-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(butylamino)-2,2-difluoropropanamide?
The IUPAC name of N-butyl-3-(butylamino)-2,2-difluoropropanamide (CID 14093530) is N-butyl-3-(butylamino)-2,2-difluoropropanamide.
What is the SMILES notation for N-butyl-3-(butylamino)-2,2-difluoropropanamide?
The canonical SMILES for N-butyl-3-(butylamino)-2,2-difluoropropanamide is CCCCNCC(F)(F)C(=O)NCCCC.
What is the InChIKey of N-butyl-3-(butylamino)-2,2-difluoropropanamide?
The InChIKey is MFRLAMPFTUXSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O/c1-3-5-7-14-9-11(12,13)10(16)15-8-6-4-2/h14H,3-9H2,1-2H3,(H,15,16).
What are the key properties of N-butyl-3-(butylamino)-2,2-difluoropropanamide?
N-butyl-3-(butylamino)-2,2-difluoropropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(butylamino)-2,2-difluoropropanamide is sourced from PubChem (CID 14093530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).