N-[2-(2,2-difluoroethoxy)propyl]butan-1-amine

C9H19F2NO — CID 82009434

IUPACN-[2-(2,2-difluoroethoxy)propyl]butan-1-amine
SMILESCCCCNCC(C)OCC(F)F
InChIInChI=1S/C9H19F2NO/c1-3-4-5-12-6-8(2)13-7-9(10)11/h8-9,12H,3-7H2,1-2H3
InChIKeyXRQLGIAKWIPNID-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.05
Rot. Bonds8

About N-[2-(2,2-difluoroethoxy)propyl]butan-1-amine

N-[2-(2,2-difluoroethoxy)propyl]butan-1-amine (PubChem CID 82009434) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)propyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)propyl]butan-1-amine
PubChem CID82009434
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC NameN-[2-(2,2-difluoroethoxy)propyl]butan-1-amine
SMILESCCCCNCC(C)OCC(F)F
InChIInChI=1S/C9H19F2NO/c1-3-4-5-12-6-8(2)13-7-9(10)11/h8-9,12H,3-7H2,1-2H3
InChIKeyXRQLGIAKWIPNID-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-propoxypropyl)butan-1-amine
CID 62583755
N-[2-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
CID 62567250
N-(2-hexoxypropyl)butan-1-amine
CID 62599346
N-[2-[2-(2-methylpropoxy)ethoxy]propyl]butan-1-amine
CID 106450242
N-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine
CID 82959356
N-(2-prop-2-enoxypropyl)pentan-1-amine
CID 62571759
N-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine
CID 106668220
N-[2-(cyclohexylmethoxy)propyl]butan-1-amine
CID 62585334
N,N'-dibutyl-2-methylpropane-1,3-diamine
CID 22075510
N-(2-phenylmethoxypropyl)butan-1-amine
CID 62566134
N-[2-(2-ethoxyethoxy)propyl]pentan-1-amine
CID 62565008
N-[2-(2,3,4,5,6-pentafluorophenoxy)propyl]butan-1-amine
CID 62583041

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)propyl]butan-1-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)propyl]butan-1-amine (CID 82009434) is N-[2-(2,2-difluoroethoxy)propyl]butan-1-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)propyl]butan-1-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)propyl]butan-1-amine is CCCCNCC(C)OCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)propyl]butan-1-amine?
The InChIKey is XRQLGIAKWIPNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-3-4-5-12-6-8(2)13-7-9(10)11/h8-9,12H,3-7H2,1-2H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)propyl]butan-1-amine?
N-[2-(2,2-difluoroethoxy)propyl]butan-1-amine has a molecular weight of 195.25 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)propyl]butan-1-amine is sourced from PubChem (CID 82009434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).