3,3,3-trifluoro-2-(2-fluorophenyl)-2-methoxypropan-1-amine

C10H11F4NO — CID 84736635

IUPAC3,3,3-trifluoro-2-(2-fluorophenyl)-2-methoxypropan-1-amine
SMILESCOC(CN)(c1ccccc1F)C(F)(F)F
InChIInChI=1S/C10H11F4NO/c1-16-9(6-15,10(12,13)14)7-4-2-3-5-8(7)11/h2-5H,6,15H2,1H3
InChIKeyWPSMPADNPPHWLY-UHFFFAOYSA-N
MW237.20 g/mol
LogP2.19
Rot. Bonds3

About 3,3,3-trifluoro-2-(2-fluorophenyl)-2-methoxypropan-1-amine

3,3,3-trifluoro-2-(2-fluorophenyl)-2-methoxypropan-1-amine (PubChem CID 84736635) has the molecular formula C10H11F4NO and a molecular weight of 237.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(2-fluorophenyl)-2-methoxypropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(2-fluorophenyl)-2-methoxypropan-1-amine
PubChem CID84736635
Molecular FormulaC10H11F4NO
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name3,3,3-trifluoro-2-(2-fluorophenyl)-2-methoxypropan-1-amine
SMILESCOC(CN)(c1ccccc1F)C(F)(F)F
InChIInChI=1S/C10H11F4NO/c1-16-9(6-15,10(12,13)14)7-4-2-3-5-8(7)11/h2-5H,6,15H2,1H3
InChIKeyWPSMPADNPPHWLY-UHFFFAOYSA-N
XLogP2.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-fluorophenyl)-2-methoxypropan-1-amine
CID 96681773
3-fluoro-3-(2-fluorophenyl)-2,2-dimethylbutan-1-amine
CID 105466737
2-fluoro-2-(2-fluorophenyl)-3-methylbutan-1-amine
CID 112566875
2-amino-1,1-bis(2-fluorophenyl)ethanol
CID 139948069
1-[difluoro(methylperoxy)methyl]-2-fluorobenzene
CID 161069405
4-amino-1,1,1-trifluoro-2-(2-fluorophenyl)butan-2-ol
CID 83919123
4-amino-3-(2-fluorophenyl)-3-methylbutan-1-ol
CID 66089558
1,1-difluoro-2-(2-fluorophenyl)butan-2-amine
CID 112680130
3-(2-fluorophenyl)-2-methylpentan-3-amine
CID 62501287
2-(aminomethyl)-2-(2-fluorophenyl)-4-methoxybutanoic acid
CID 106490625
1-fluoro-2-(trifluoromethyl)benzene;hydrochloride
CID 174766885
2-fluoro-2-(2-methoxyphenyl)propan-1-amine
CID 84718782

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(2-fluorophenyl)-2-methoxypropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(2-fluorophenyl)-2-methoxypropan-1-amine (CID 84736635) is 3,3,3-trifluoro-2-(2-fluorophenyl)-2-methoxypropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(2-fluorophenyl)-2-methoxypropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(2-fluorophenyl)-2-methoxypropan-1-amine is COC(CN)(c1ccccc1F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(2-fluorophenyl)-2-methoxypropan-1-amine?
The InChIKey is WPSMPADNPPHWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO/c1-16-9(6-15,10(12,13)14)7-4-2-3-5-8(7)11/h2-5H,6,15H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-(2-fluorophenyl)-2-methoxypropan-1-amine?
3,3,3-trifluoro-2-(2-fluorophenyl)-2-methoxypropan-1-amine has a molecular weight of 237.20 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(2-fluorophenyl)-2-methoxypropan-1-amine is sourced from PubChem (CID 84736635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).