[5-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine

C10H11F4NO — CID 63289383

IUPAC[5-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
SMILESNCc1cc(F)ccc1COCC(F)(F)F
InChIInChI=1S/C10H11F4NO/c11-9-2-1-7(8(3-9)4-15)5-16-6-10(12,13)14/h1-3H,4-6,15H2
InChIKeyYRFXSSSMSFMCBQ-UHFFFAOYSA-N
MW237.20 g/mol
LogP2.36
Rot. Bonds4

About [5-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine

[5-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine (PubChem CID 63289383) has the molecular formula C10H11F4NO and a molecular weight of 237.20 g/mol. Its IUPAC name is [5-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
PubChem CID63289383
Molecular FormulaC10H11F4NO
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name[5-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
SMILESNCc1cc(F)ccc1COCC(F)(F)F
InChIInChI=1S/C10H11F4NO/c11-9-2-1-7(8(3-9)4-15)5-16-6-10(12,13)14/h1-3H,4-6,15H2
InChIKeyYRFXSSSMSFMCBQ-UHFFFAOYSA-N
XLogP2.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(Methoxymethyl)phenyl]methanamine
CID 12628891
(4-((2,2,2-Trifluoroethoxy)methyl)phenyl)methanamine
CID 16227394
(2-((Propan-2-yloxy)methyl)phenyl)methanamine
CID 18070374
(4-(Ethoxymethyl)phenyl)methanamine
CID 16784161
[2-(Ethoxymethyl)phenyl]methanamine
CID 16792336
3,4-dihydro-1H-2-benzopyran-4-amine hydrochloride
CID 17750402
[3-Fluoro-4-(methoxymethyl)phenyl]methanamine
CID 20117920
[2,6-Bis(ethoxymethyl)phenyl]methanamine;hydrochloride
CID 76325052
Isochroman-4-amine
CID 17750403
2,2,2-Trifluoro-1-methoxy-1-phenylethanamine
CID 12164756
{3-[(2,2,2-Trifluoroethoxy)methyl]phenyl}methanamine
CID 16794179
1-(2-((2-Methoxyethoxy)methyl)phenyl)methanamine
CID 20113385

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine?
The IUPAC name of [5-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine (CID 63289383) is [5-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine is NCc1cc(F)ccc1COCC(F)(F)F.
What is the InChIKey of [5-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine?
The InChIKey is YRFXSSSMSFMCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO/c11-9-2-1-7(8(3-9)4-15)5-16-6-10(12,13)14/h1-3H,4-6,15H2.
What are the key properties of [5-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine?
[5-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine has a molecular weight of 237.20 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine is sourced from PubChem (CID 63289383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).