1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-amine

C11H11F6NO2 — CID 139965810

IUPAC1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-amine
SMILESCCC(N)c1cc(OC(F)(F)F)ccc1OC(F)(F)F
InChIInChI=1S/C11H11F6NO2/c1-2-8(18)7-5-6(19-10(12,13)14)3-4-9(7)20-11(15,16)17/h3-5,8H,2,18H2,1H3
InChIKeyCHFLFDQFRRFZQT-UHFFFAOYSA-N
MW303.20 g/mol
LogP3.89
Rot. Bonds4

About 1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-amine

1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-amine (PubChem CID 139965810) has the molecular formula C11H11F6NO2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-amine
PubChem CID139965810
Molecular FormulaC11H11F6NO2
Molecular Weight303.20 g/mol
Exact Mass303.07
IUPAC Name1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-amine
SMILESCCC(N)c1cc(OC(F)(F)F)ccc1OC(F)(F)F
InChIInChI=1S/C11H11F6NO2/c1-2-8(18)7-5-6(19-10(12,13)14)3-4-9(7)20-11(15,16)17/h3-5,8H,2,18H2,1H3
InChIKeyCHFLFDQFRRFZQT-UHFFFAOYSA-N
XLogP3.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminopropyl)-4-(trifluoromethoxy)aniline
CID 112541231
1-[2-bromo-5-(trifluoromethoxy)phenyl]propan-1-amine
CID 83988951
1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-ol
CID 139965700
(2R)-2-amino-2-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol
CID 66515505
(1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]pentane-1,5-diamine
CID 171228299
(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171208716
(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-amine
CID 171235861
(2S,3S)-3-amino-1,1,1-trifluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]propan-2-ol
CID 171269353
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine
CID 171216217
2-(1-amino-3-methylbutyl)-4-(trifluoromethoxy)aniline
CID 83988086
4-(difluoromethoxy)-2-(difluoromethyl)-1-(trifluoromethoxy)benzene
CID 170998726
1-bromo-1-[2-ethoxy-5-(trifluoromethoxy)phenyl]propan-2-one
CID 134615762

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-amine?
The IUPAC name of 1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-amine (CID 139965810) is 1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-amine.
What is the SMILES notation for 1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-amine?
The canonical SMILES for 1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-amine is CCC(N)c1cc(OC(F)(F)F)ccc1OC(F)(F)F.
What is the InChIKey of 1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-amine?
The InChIKey is CHFLFDQFRRFZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6NO2/c1-2-8(18)7-5-6(19-10(12,13)14)3-4-9(7)20-11(15,16)17/h3-5,8H,2,18H2,1H3.
What are the key properties of 1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-amine?
1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-amine has a molecular weight of 303.20 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 139965810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).