N-methylethanamine;1,1,1-trifluoro-3-propoxypropane

C9H20F3NO — CID 142009658

IUPACN-methylethanamine;1,1,1-trifluoro-3-propoxypropane
SMILESCCCOCCC(F)(F)F.CCNC
InChIInChI=1S/C6H11F3O.C3H9N/c1-2-4-10-5-3-6(7,8)9;1-3-4-2/h2-5H2,1H3;4H,3H2,1-2H3
InChIKeyQPLPABWEARZKNV-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.59
Rot. Bonds5

About N-methylethanamine;1,1,1-trifluoro-3-propoxypropane

N-methylethanamine;1,1,1-trifluoro-3-propoxypropane (PubChem CID 142009658) has the molecular formula C9H20F3NO and a molecular weight of 215.26 g/mol. Its IUPAC name is N-methylethanamine;1,1,1-trifluoro-3-propoxypropane.

Molecular Properties

Compound NameN-methylethanamine;1,1,1-trifluoro-3-propoxypropane
PubChem CID142009658
Molecular FormulaC9H20F3NO
Molecular Weight215.26 g/mol
Exact Mass215.15
IUPAC NameN-methylethanamine;1,1,1-trifluoro-3-propoxypropane
SMILESCCCOCCC(F)(F)F.CCNC
InChIInChI=1S/C6H11F3O.C3H9N/c1-2-4-10-5-3-6(7,8)9;1-3-4-2/h2-5H2,1H3;4H,3H2,1-2H3
InChIKeyQPLPABWEARZKNV-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.59
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-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491003
N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491037
N-methyl-3-(trifluoromethoxy)propan-1-amine
CID 64984809
3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 82004246
3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 82670782
3-(difluoromethoxy)-N-methylpropan-1-amine
CID 84716193
Triethylazanium;2,2,2-trifluoroethanolate
CID 87553441
3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 129140799
N-(2,2-difluoroethoxymethyl)-2-propoxyethanamine
CID 131993604
[2,2-Difluoro-3-(propan-2-yloxy)propyl](ethyl)amine
CID 134579334
[3-(Tert-butoxy)-2,2-difluoropropyl](ethyl)amine
CID 134579816
2,2-difluoro-1-methoxy-N-methylethanamine
CID 140129733

Frequently Asked Questions

What is the IUPAC name of N-methylethanamine;1,1,1-trifluoro-3-propoxypropane?
The IUPAC name of N-methylethanamine;1,1,1-trifluoro-3-propoxypropane (CID 142009658) is N-methylethanamine;1,1,1-trifluoro-3-propoxypropane.
What is the SMILES notation for N-methylethanamine;1,1,1-trifluoro-3-propoxypropane?
The canonical SMILES for N-methylethanamine;1,1,1-trifluoro-3-propoxypropane is CCCOCCC(F)(F)F.CCNC.
What is the InChIKey of N-methylethanamine;1,1,1-trifluoro-3-propoxypropane?
The InChIKey is QPLPABWEARZKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O.C3H9N/c1-2-4-10-5-3-6(7,8)9;1-3-4-2/h2-5H2,1H3;4H,3H2,1-2H3.
What are the key properties of N-methylethanamine;1,1,1-trifluoro-3-propoxypropane?
N-methylethanamine;1,1,1-trifluoro-3-propoxypropane has a molecular weight of 215.26 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylethanamine;1,1,1-trifluoro-3-propoxypropane is sourced from PubChem (CID 142009658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).