3-butoxy-N-ethyl-2,2-difluoro-N-methylpropan-1-amine

C10H21F2NO — CID 170216374

IUPAC3-butoxy-N-ethyl-2,2-difluoro-N-methylpropan-1-amine
SMILESCCCCOCC(F)(F)CN(C)CC
InChIInChI=1S/C10H21F2NO/c1-4-6-7-14-9-10(11,12)8-13(3)5-2/h4-9H2,1-3H3
InChIKeyMIGFUSMAWIVJNZ-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.39
Rot. Bonds8

About 3-butoxy-N-ethyl-2,2-difluoro-N-methylpropan-1-amine

3-butoxy-N-ethyl-2,2-difluoro-N-methylpropan-1-amine (PubChem CID 170216374) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is 3-butoxy-N-ethyl-2,2-difluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-butoxy-N-ethyl-2,2-difluoro-N-methylpropan-1-amine
PubChem CID170216374
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC Name3-butoxy-N-ethyl-2,2-difluoro-N-methylpropan-1-amine
SMILESCCCCOCC(F)(F)CN(C)CC
InChIInChI=1S/C10H21F2NO/c1-4-6-7-14-9-10(11,12)8-13(3)5-2/h4-9H2,1-3H3
InChIKeyMIGFUSMAWIVJNZ-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-(2,2,2-trifluoroethoxy)butane
CID 170752039
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1-butoxy-4-(trifluoromethoxy)butane
CID 152923004
aluminum;1-butoxybutane;hydride
CID 174684135
1-butoxybutane;methoxymethane
CID 18401298
3-butoxy-1,1-difluoropropan-1-ol
CID 164768112
2-(5-butoxypentyl)-N,N,N',N'-tetramethyl-2-(octoxymethyl)propane-1,3-diamine
CID 58492058
3,3-difluoro-1-pentoxypentane
CID 175614037
1-butoxypentane;niobium
CID 175363169
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
azane;1-propoxybutane
CID 87292575

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-ethyl-2,2-difluoro-N-methylpropan-1-amine?
The IUPAC name of 3-butoxy-N-ethyl-2,2-difluoro-N-methylpropan-1-amine (CID 170216374) is 3-butoxy-N-ethyl-2,2-difluoro-N-methylpropan-1-amine.
What is the SMILES notation for 3-butoxy-N-ethyl-2,2-difluoro-N-methylpropan-1-amine?
The canonical SMILES for 3-butoxy-N-ethyl-2,2-difluoro-N-methylpropan-1-amine is CCCCOCC(F)(F)CN(C)CC.
What is the InChIKey of 3-butoxy-N-ethyl-2,2-difluoro-N-methylpropan-1-amine?
The InChIKey is MIGFUSMAWIVJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO/c1-4-6-7-14-9-10(11,12)8-13(3)5-2/h4-9H2,1-3H3.
What are the key properties of 3-butoxy-N-ethyl-2,2-difluoro-N-methylpropan-1-amine?
3-butoxy-N-ethyl-2,2-difluoro-N-methylpropan-1-amine has a molecular weight of 209.28 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-ethyl-2,2-difluoro-N-methylpropan-1-amine is sourced from PubChem (CID 170216374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).