N,N-diethyl-1,1-difluoropropan-1-amine

C7H15F2N — CID 57486595

IUPACN,N-diethyl-1,1-difluoropropan-1-amine
SMILESCCN(CC)C(F)(F)CC
InChIInChI=1S/C7H15F2N/c1-4-7(8,9)10(5-2)6-3/h4-6H2,1-3H3
InChIKeyJNCNYSIPTUTFJM-UHFFFAOYSA-N
MW151.20 g/mol
LogP2.33
Rot. Bonds4

About N,N-diethyl-1,1-difluoropropan-1-amine

N,N-diethyl-1,1-difluoropropan-1-amine (PubChem CID 57486595) has the molecular formula C7H15F2N and a molecular weight of 151.20 g/mol. Its IUPAC name is N,N-diethyl-1,1-difluoropropan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1,1-difluoropropan-1-amine
PubChem CID57486595
Molecular FormulaC7H15F2N
Molecular Weight151.20 g/mol
Exact Mass151.12
IUPAC NameN,N-diethyl-1,1-difluoropropan-1-amine
SMILESCCN(CC)C(F)(F)CC
InChIInChI=1S/C7H15F2N/c1-4-7(8,9)10(5-2)6-3/h4-6H2,1-3H3
InChIKeyJNCNYSIPTUTFJM-UHFFFAOYSA-N
XLogP2.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.20
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,1-difluoropropan-1-amine?
The IUPAC name of N,N-diethyl-1,1-difluoropropan-1-amine (CID 57486595) is N,N-diethyl-1,1-difluoropropan-1-amine.
What is the SMILES notation for N,N-diethyl-1,1-difluoropropan-1-amine?
The canonical SMILES for N,N-diethyl-1,1-difluoropropan-1-amine is CCN(CC)C(F)(F)CC.
What is the InChIKey of N,N-diethyl-1,1-difluoropropan-1-amine?
The InChIKey is JNCNYSIPTUTFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N/c1-4-7(8,9)10(5-2)6-3/h4-6H2,1-3H3.
What are the key properties of N,N-diethyl-1,1-difluoropropan-1-amine?
N,N-diethyl-1,1-difluoropropan-1-amine has a molecular weight of 151.20 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,1-difluoropropan-1-amine is sourced from PubChem (CID 57486595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).