N,N-bis(1,1-difluoropentyl)-1,1-difluoropentan-1-amine

C15H27F6N — CID 23312485

IUPACN,N-bis(1,1-difluoropentyl)-1,1-difluoropentan-1-amine
SMILESCCCCC(F)(F)N(C(F)(F)CCCC)C(F)(F)CCCC
InChIInChI=1S/C15H27F6N/c1-4-7-10-13(16,17)22(14(18,19)11-8-5-2)15(20,21)12-9-6-3/h4-12H2,1-3H3
InChIKeyZXPCCJZLKLHOMN-UHFFFAOYSA-N
MW335.38 g/mol
LogP6.64
Rot. Bonds12

About N,N-bis(1,1-difluoropentyl)-1,1-difluoropentan-1-amine

N,N-bis(1,1-difluoropentyl)-1,1-difluoropentan-1-amine (PubChem CID 23312485) has the molecular formula C15H27F6N and a molecular weight of 335.38 g/mol. Its IUPAC name is N,N-bis(1,1-difluoropentyl)-1,1-difluoropentan-1-amine.

Molecular Properties

Compound NameN,N-bis(1,1-difluoropentyl)-1,1-difluoropentan-1-amine
PubChem CID23312485
Molecular FormulaC15H27F6N
Molecular Weight335.38 g/mol
Exact Mass335.20
IUPAC NameN,N-bis(1,1-difluoropentyl)-1,1-difluoropentan-1-amine
SMILESCCCCC(F)(F)N(C(F)(F)CCCC)C(F)(F)CCCC
InChIInChI=1S/C15H27F6N/c1-4-7-10-13(16,17)22(14(18,19)11-8-5-2)15(20,21)12-9-6-3/h4-12H2,1-3H3
InChIKeyZXPCCJZLKLHOMN-UHFFFAOYSA-N
XLogP6.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.38
LogP ≤ 56.64
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-bis(1,1-difluoropentyl)-1,1-difluoropentan-1-amine?
The IUPAC name of N,N-bis(1,1-difluoropentyl)-1,1-difluoropentan-1-amine (CID 23312485) is N,N-bis(1,1-difluoropentyl)-1,1-difluoropentan-1-amine.
What is the SMILES notation for N,N-bis(1,1-difluoropentyl)-1,1-difluoropentan-1-amine?
The canonical SMILES for N,N-bis(1,1-difluoropentyl)-1,1-difluoropentan-1-amine is CCCCC(F)(F)N(C(F)(F)CCCC)C(F)(F)CCCC.
What is the InChIKey of N,N-bis(1,1-difluoropentyl)-1,1-difluoropentan-1-amine?
The InChIKey is ZXPCCJZLKLHOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F6N/c1-4-7-10-13(16,17)22(14(18,19)11-8-5-2)15(20,21)12-9-6-3/h4-12H2,1-3H3.
What are the key properties of N,N-bis(1,1-difluoropentyl)-1,1-difluoropentan-1-amine?
N,N-bis(1,1-difluoropentyl)-1,1-difluoropentan-1-amine has a molecular weight of 335.38 g/mol, XLogP of 6.64, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1,1-difluoropentyl)-1,1-difluoropentan-1-amine is sourced from PubChem (CID 23312485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).