2,2,3,3-tetrafluoro-N-[[4-(methoxymethyl)phenyl]methyl]propan-1-amine

C12H15F4NO — CID 103529393

IUPAC2,2,3,3-tetrafluoro-N-[[4-(methoxymethyl)phenyl]methyl]propan-1-amine
SMILESCOCc1ccc(CNCC(F)(F)C(F)F)cc1
InChIInChI=1S/C12H15F4NO/c1-18-7-10-4-2-9(3-5-10)6-17-8-12(15,16)11(13)14/h2-5,11,17H,6-8H2,1H3
InChIKeyKJCZHNUYDCUZIJ-UHFFFAOYSA-N
MW265.25 g/mol
LogP2.82
Rot. Bonds7

About 2,2,3,3-tetrafluoro-N-[[4-(methoxymethyl)phenyl]methyl]propan-1-amine

2,2,3,3-tetrafluoro-N-[[4-(methoxymethyl)phenyl]methyl]propan-1-amine (PubChem CID 103529393) has the molecular formula C12H15F4NO and a molecular weight of 265.25 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[[4-(methoxymethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[[4-(methoxymethyl)phenyl]methyl]propan-1-amine
PubChem CID103529393
Molecular FormulaC12H15F4NO
Molecular Weight265.25 g/mol
Exact Mass265.11
IUPAC Name2,2,3,3-tetrafluoro-N-[[4-(methoxymethyl)phenyl]methyl]propan-1-amine
SMILESCOCc1ccc(CNCC(F)(F)C(F)F)cc1
InChIInChI=1S/C12H15F4NO/c1-18-7-10-4-2-9(3-5-10)6-17-8-12(15,16)11(13)14/h2-5,11,17H,6-8H2,1H3
InChIKeyKJCZHNUYDCUZIJ-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 52.82
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

N-[(3,5-dimethoxyphenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529436
2,2,3,3-tetrafluoro-N-[[4-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 106289896
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 60751693
2-ethyl-2-[[[4-(methoxymethyl)phenyl]methylamino]methyl]butan-1-ol
CID 103845594
N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529399
N-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine
CID 60753020
4-(ethylaminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
CID 106294662
(2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 103884134
2-bromo-4-[(2,2,3,3-tetrafluoropropylamino)methyl]phenol
CID 114169005
2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 106291983
3-methoxy-4-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline
CID 106293675
N-[(5-ethylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529513

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[[4-(methoxymethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[[4-(methoxymethyl)phenyl]methyl]propan-1-amine (CID 103529393) is 2,2,3,3-tetrafluoro-N-[[4-(methoxymethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[[4-(methoxymethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[[4-(methoxymethyl)phenyl]methyl]propan-1-amine is COCc1ccc(CNCC(F)(F)C(F)F)cc1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[[4-(methoxymethyl)phenyl]methyl]propan-1-amine?
The InChIKey is KJCZHNUYDCUZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NO/c1-18-7-10-4-2-9(3-5-10)6-17-8-12(15,16)11(13)14/h2-5,11,17H,6-8H2,1H3.
What are the key properties of 2,2,3,3-tetrafluoro-N-[[4-(methoxymethyl)phenyl]methyl]propan-1-amine?
2,2,3,3-tetrafluoro-N-[[4-(methoxymethyl)phenyl]methyl]propan-1-amine has a molecular weight of 265.25 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[[4-(methoxymethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 103529393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).