1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-amine

C11H13F4NO — CID 170890919

IUPAC1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C11H13F4NO/c1-7(16)6-8-2-4-9(5-3-8)17-11(14,15)10(12)13/h2-5,7,10H,6,16H2,1H3
InChIKeyFHMWHVNHHKIWDJ-UHFFFAOYSA-N
MW251.22 g/mol
LogP2.81
Rot. Bonds5

About 1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-amine

1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-amine (PubChem CID 170890919) has the molecular formula C11H13F4NO and a molecular weight of 251.22 g/mol. Its IUPAC name is 1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-amine
PubChem CID170890919
Molecular FormulaC11H13F4NO
Molecular Weight251.22 g/mol
Exact Mass251.09
IUPAC Name1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C11H13F4NO/c1-7(16)6-8-2-4-9(5-3-8)17-11(14,15)10(12)13/h2-5,7,10H,6,16H2,1H3
InChIKeyFHMWHVNHHKIWDJ-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 52.81
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-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine
CID 60907315
4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine
CID 64718513
(1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride
CID 171228229
ethyl 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate
CID 88799052
(1S)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-amine
CID 171228244
(2R)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
CID 66515285
(2S)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
CID 66515284
butane;1-hexyl-4-(1,1,2,2-tetrafluoroethoxy)benzene
CID 143474263
N'-hydroxy-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanimidamide
CID 156545746
1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine
CID 143625777
(3S)-3-amino-2,2-dimethyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol
CID 171249265
1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 105136604

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-amine (CID 170890919) is 1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-amine is CC(N)Cc1ccc(OC(F)(F)C(F)F)cc1.
What is the InChIKey of 1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-amine?
The InChIKey is FHMWHVNHHKIWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO/c1-7(16)6-8-2-4-9(5-3-8)17-11(14,15)10(12)13/h2-5,7,10H,6,16H2,1H3.
What are the key properties of 1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-amine?
1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-amine has a molecular weight of 251.22 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 170890919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).