N'-[2-(1,1-difluoropropoxy)-2,3,3,3-tetrafluoropropyl]butane-1,4-diamine

C10H18F6N2O — CID 161273519

IUPACN'-[2-(1,1-difluoropropoxy)-2,3,3,3-tetrafluoropropyl]butane-1,4-diamine
SMILESCCC(F)(F)OC(F)(CNCCCCN)C(F)(F)F
InChIInChI=1S/C10H18F6N2O/c1-2-9(12,13)19-8(11,10(14,15)16)7-18-6-4-3-5-17/h18H,2-7,17H2,1H3
InChIKeyVEDDDXCFHIXFML-UHFFFAOYSA-N
MW296.26 g/mol
LogP2.56
Rot. Bonds9

About N'-[2-(1,1-difluoropropoxy)-2,3,3,3-tetrafluoropropyl]butane-1,4-diamine

N'-[2-(1,1-difluoropropoxy)-2,3,3,3-tetrafluoropropyl]butane-1,4-diamine (PubChem CID 161273519) has the molecular formula C10H18F6N2O and a molecular weight of 296.26 g/mol. Its IUPAC name is N'-[2-(1,1-difluoropropoxy)-2,3,3,3-tetrafluoropropyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[2-(1,1-difluoropropoxy)-2,3,3,3-tetrafluoropropyl]butane-1,4-diamine
PubChem CID161273519
Molecular FormulaC10H18F6N2O
Molecular Weight296.26 g/mol
Exact Mass296.13
IUPAC NameN'-[2-(1,1-difluoropropoxy)-2,3,3,3-tetrafluoropropyl]butane-1,4-diamine
SMILESCCC(F)(F)OC(F)(CNCCCCN)C(F)(F)F
InChIInChI=1S/C10H18F6N2O/c1-2-9(12,13)19-8(11,10(14,15)16)7-18-6-4-3-5-17/h18H,2-7,17H2,1H3
InChIKeyVEDDDXCFHIXFML-UHFFFAOYSA-N
XLogP2.56
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.26
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82959124
N,N'-bis[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]ethane-1,2-diamine
CID 118344747
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylpropan-1-amine
CID 118346576
N'-methyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]butane-1,4-diamine
CID 134276360
2-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
CID 55063520
N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
CID 55077461
N-[2-(2,2,3,3-tetrafluoropropoxy)propyl]pentan-2-amine
CID 55092824
2-(2,2,3,3-tetrafluoropropoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55092918
N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 60733357
N',N'-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butane-1,4-diamine
CID 61955919
N-ethyl-2-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
CID 62355456
N-ethyl-2-methyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-amine
CID 62355625

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,1-difluoropropoxy)-2,3,3,3-tetrafluoropropyl]butane-1,4-diamine?
The IUPAC name of N'-[2-(1,1-difluoropropoxy)-2,3,3,3-tetrafluoropropyl]butane-1,4-diamine (CID 161273519) is N'-[2-(1,1-difluoropropoxy)-2,3,3,3-tetrafluoropropyl]butane-1,4-diamine.
What is the SMILES notation for N'-[2-(1,1-difluoropropoxy)-2,3,3,3-tetrafluoropropyl]butane-1,4-diamine?
The canonical SMILES for N'-[2-(1,1-difluoropropoxy)-2,3,3,3-tetrafluoropropyl]butane-1,4-diamine is CCC(F)(F)OC(F)(CNCCCCN)C(F)(F)F.
What is the InChIKey of N'-[2-(1,1-difluoropropoxy)-2,3,3,3-tetrafluoropropyl]butane-1,4-diamine?
The InChIKey is VEDDDXCFHIXFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F6N2O/c1-2-9(12,13)19-8(11,10(14,15)16)7-18-6-4-3-5-17/h18H,2-7,17H2,1H3.
What are the key properties of N'-[2-(1,1-difluoropropoxy)-2,3,3,3-tetrafluoropropyl]butane-1,4-diamine?
N'-[2-(1,1-difluoropropoxy)-2,3,3,3-tetrafluoropropyl]butane-1,4-diamine has a molecular weight of 296.26 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,1-difluoropropoxy)-2,3,3,3-tetrafluoropropyl]butane-1,4-diamine is sourced from PubChem (CID 161273519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).