1-(3-fluorophenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C12H14F5NO — CID 103475476

IUPAC1-(3-fluorophenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCNC(COCC(F)(F)C(F)F)c1cccc(F)c1
InChIInChI=1S/C12H14F5NO/c1-18-10(8-3-2-4-9(13)5-8)6-19-7-12(16,17)11(14)15/h2-5,10-11,18H,6-7H2,1H3
InChIKeySYMKPTWNGUEAPG-UHFFFAOYSA-N
MW283.24 g/mol
LogP3.00
Rot. Bonds7

About 1-(3-fluorophenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

1-(3-fluorophenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 103475476) has the molecular formula C12H14F5NO and a molecular weight of 283.24 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID103475476
Molecular FormulaC12H14F5NO
Molecular Weight283.24 g/mol
Exact Mass283.10
IUPAC Name1-(3-fluorophenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCNC(COCC(F)(F)C(F)F)c1cccc(F)c1
InChIInChI=1S/C12H14F5NO/c1-18-10(8-3-2-4-9(13)5-8)6-19-7-12(16,17)11(14)15/h2-5,10-11,18H,6-7H2,1H3
InChIKeySYMKPTWNGUEAPG-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475495
1-(5-fluoro-2-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475580
1-(3-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105092686
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)-N-methylethanamine
CID 82004737
[1-(3-fluoro-4-methylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 107130927
2,2,3,3-tetrafluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 112741217
N-methyl-1-(3-methylphenyl)-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82788388
N-methyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475642
1-(3-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950529
5-(3-fluorophenyl)-5-(methylamino)pentan-2-one
CID 116956231
1-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 62607548

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 103475476) is 1-(3-fluorophenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is CNC(COCC(F)(F)C(F)F)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is SYMKPTWNGUEAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5NO/c1-18-10(8-3-2-4-9(13)5-8)6-19-7-12(16,17)11(14)15/h2-5,10-11,18H,6-7H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(3-fluorophenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 283.24 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 103475476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).