(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride

C11H14ClF4NO — CID 171208529

IUPAC(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride
SMILESCC[C@@H](N)c1ccccc1OC(F)(F)C(F)F.Cl
InChIInChI=1S/C11H13F4NO.ClH/c1-2-8(16)7-5-3-4-6-9(7)17-11(14,15)10(12)13;/h3-6,8,10H,2,16H2,1H3;1H/t8-;/m1./s1
InChIKeyTVCNTCZYRKGFNE-DDWIOCJRSA-N
MW287.68 g/mol
LogP3.75
Rot. Bonds5

About (1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride

(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride (PubChem CID 171208529) has the molecular formula C11H14ClF4NO and a molecular weight of 287.68 g/mol. Its IUPAC name is (1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride
PubChem CID171208529
Molecular FormulaC11H14ClF4NO
Molecular Weight287.68 g/mol
Exact Mass287.07
IUPAC Name(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride
SMILESCC[C@@H](N)c1ccccc1OC(F)(F)C(F)F.Cl
InChIInChI=1S/C11H13F4NO.ClH/c1-2-8(16)7-5-3-4-6-9(7)17-11(14,15)10(12)13;/h3-6,8,10H,2,16H2,1H3;1H/t8-;/m1./s1
InChIKeyTVCNTCZYRKGFNE-DDWIOCJRSA-N
XLogP3.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.68
LogP ≤ 53.75
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

(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-amine;hydrochloride
CID 171208533
(1S,2R)-1-amino-3-methyl-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pentan-2-ol;hydrochloride
CID 171269296
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1R,2R)-1-amino-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-ol
CID 165345159
(1R,2S)-1-amino-5-methyl-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]hexan-2-ol;hydrochloride
CID 171263629
(1R)-1-[2-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine
CID 79014750
(1S)-1-(2-ethoxyphenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171221760
1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171165820
(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride
CID 171208551
3-(2,6-dibromophenyl)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;1,3-dibromo-2-[3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]benzene
CID 91244981
(1S)-4,4,4-trifluoro-1-[2-(trifluoromethoxy)phenyl]butan-1-amine;hydrochloride
CID 171229687

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride (CID 171208529) is (1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride is CC[C@@H](N)c1ccccc1OC(F)(F)C(F)F.Cl.
What is the InChIKey of (1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride?
The InChIKey is TVCNTCZYRKGFNE-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H13F4NO.ClH/c1-2-8(16)7-5-3-4-6-9(7)17-11(14,15)10(12)13;/h3-6,8,10H,2,16H2,1H3;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride?
(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride has a molecular weight of 287.68 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 171208529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).