1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine

C11H13F4N — CID 84727054

IUPAC1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(C(F)(F)C(F)F)c1
InChIInChI=1S/C11H13F4N/c1-7(16)5-8-3-2-4-9(6-8)11(14,15)10(12)13/h2-4,6-7,10H,5,16H2,1H3
InChIKeyHGSYJWYCKQOXPW-UHFFFAOYSA-N
MW235.22 g/mol
LogP2.93
Rot. Bonds4

About 1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine

1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine (PubChem CID 84727054) has the molecular formula C11H13F4N and a molecular weight of 235.22 g/mol. Its IUPAC name is 1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine
PubChem CID84727054
Molecular FormulaC11H13F4N
Molecular Weight235.22 g/mol
Exact Mass235.10
IUPAC Name1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(C(F)(F)C(F)F)c1
InChIInChI=1S/C11H13F4N/c1-7(16)5-8-3-2-4-9(6-8)11(14,15)10(12)13/h2-4,6-7,10H,5,16H2,1H3
InChIKeyHGSYJWYCKQOXPW-UHFFFAOYSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 105495790
1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine
CID 69374582
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-amine
CID 117111249
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 96706913
1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine
CID 63095821
(2R)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-amine
CID 56989773
diethyl 2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate
CID 53401794

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine?
The IUPAC name of 1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine (CID 84727054) is 1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine is CC(N)Cc1cccc(C(F)(F)C(F)F)c1.
What is the InChIKey of 1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine?
The InChIKey is HGSYJWYCKQOXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N/c1-7(16)5-8-3-2-4-9(6-8)11(14,15)10(12)13/h2-4,6-7,10H,5,16H2,1H3.
What are the key properties of 1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine?
1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine has a molecular weight of 235.22 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine is sourced from PubChem (CID 84727054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).