2-(4,4-difluoropentoxy)-N-methylpropan-1-amine

C9H19F2NO — CID 91242229

IUPAC2-(4,4-difluoropentoxy)-N-methylpropan-1-amine
SMILESCNCC(C)OCCCC(C)(F)F
InChIInChI=1S/C9H19F2NO/c1-8(7-12-3)13-6-4-5-9(2,10)11/h8,12H,4-7H2,1-3H3
InChIKeyRNHKFIXPFAJHQG-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.05
Rot. Bonds7

About 2-(4,4-difluoropentoxy)-N-methylpropan-1-amine

2-(4,4-difluoropentoxy)-N-methylpropan-1-amine (PubChem CID 91242229) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 2-(4,4-difluoropentoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4,4-difluoropentoxy)-N-methylpropan-1-amine
PubChem CID91242229
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name2-(4,4-difluoropentoxy)-N-methylpropan-1-amine
SMILESCNCC(C)OCCCC(C)(F)F
InChIInChI=1S/C9H19F2NO/c1-8(7-12-3)13-6-4-5-9(2,10)11/h8,12H,4-7H2,1-3H3
InChIKeyRNHKFIXPFAJHQG-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-methyl-2-(4,4,4-trifluorobutoxy)butan-1-amine
CID 82792420
N-methyl-2-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82959124
Methyl(3,3,3-trifluoro-2-methoxypropyl)amine
CID 83826522
2-(4,4-difluoropentoxy)-N,2-dimethylpropan-1-amine
CID 91181200
2-propan-2-yloxy-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 104760288
N-(fluoromethyl)-2-pentoxyethanamine
CID 140226325
1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine
CID 141198660
3,3-difluoro-N-methyl-5-propan-2-yloxypentan-1-amine
CID 167254115
3,3,3-trifluoro-N-methyl-2-propoxypropan-1-amine
CID 168927414
3,3-difluoro-N-methyl-5-[2-(methylamino)ethoxy]pentan-1-amine
CID 169293331
N-methylpropan-1-amine;1-(trifluoromethoxy)pentane
CID 172335751
ethane;2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine
CID 176665498

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropentoxy)-N-methylpropan-1-amine?
The IUPAC name of 2-(4,4-difluoropentoxy)-N-methylpropan-1-amine (CID 91242229) is 2-(4,4-difluoropentoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(4,4-difluoropentoxy)-N-methylpropan-1-amine?
The canonical SMILES for 2-(4,4-difluoropentoxy)-N-methylpropan-1-amine is CNCC(C)OCCCC(C)(F)F.
What is the InChIKey of 2-(4,4-difluoropentoxy)-N-methylpropan-1-amine?
The InChIKey is RNHKFIXPFAJHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-8(7-12-3)13-6-4-5-9(2,10)11/h8,12H,4-7H2,1-3H3.
What are the key properties of 2-(4,4-difluoropentoxy)-N-methylpropan-1-amine?
2-(4,4-difluoropentoxy)-N-methylpropan-1-amine has a molecular weight of 195.25 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropentoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 91242229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).