(1R)-2,2,3,3,3-pentafluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride

C11H9ClF9NO — CID 171312484

IUPAC(1R)-2,2,3,3,3-pentafluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride
SMILESCl.N[C@H](c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H8F9NO.ClH/c12-8(13)10(16,17)22-6-3-1-2-5(4-6)7(21)9(14,15)11(18,19)20;/h1-4,7-8H,21H2;1H/t7-;/m1./s1
InChIKeyYMKBXNWFKGKQCC-OGFXRTJISA-N
MW377.63 g/mol
LogP4.54
Rot. Bonds5

About (1R)-2,2,3,3,3-pentafluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride

(1R)-2,2,3,3,3-pentafluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride (PubChem CID 171312484) has the molecular formula C11H9ClF9NO and a molecular weight of 377.63 g/mol. Its IUPAC name is (1R)-2,2,3,3,3-pentafluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2,3,3,3-pentafluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride
PubChem CID171312484
Molecular FormulaC11H9ClF9NO
Molecular Weight377.63 g/mol
Exact Mass377.02
IUPAC Name(1R)-2,2,3,3,3-pentafluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride
SMILESCl.N[C@H](c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H8F9NO.ClH/c12-8(13)10(16,17)22-6-3-1-2-5(4-6)7(21)9(14,15)11(18,19)20;/h1-4,7-8H,21H2;1H/t7-;/m1./s1
InChIKeyYMKBXNWFKGKQCC-OGFXRTJISA-N
XLogP4.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.63
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-2,2,3,3,3-pentafluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-2-fluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride
CID 171208580
(1S)-3,3,3-trifluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine
CID 171228193
methyl (2R)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate;hydrochloride
CID 171228220
(S)-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171242513
(1S)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pentane-1,5-diamine
CID 171228173
(4R)-4-amino-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-ol
CID 171208640
methyl (2S)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate
CID 171208633
(1R)-2,2,3,3,3-pentafluoro-1-(3-phenylmethoxyphenyl)propan-1-amine
CID 171312580
(1S,2R)-2-amino-1-cyclobutyl-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol;hydrochloride
CID 171159807
(1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 171311708
(1R)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171248398
(1S)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241676

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride?
The IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride (CID 171312484) is (1R)-2,2,3,3,3-pentafluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-2,2,3,3,3-pentafluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-2,2,3,3,3-pentafluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride is Cl.N[C@H](c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)C(F)(F)F.
What is the InChIKey of (1R)-2,2,3,3,3-pentafluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride?
The InChIKey is YMKBXNWFKGKQCC-OGFXRTJISA-N. The full InChI is InChI=1S/C11H8F9NO.ClH/c12-8(13)10(16,17)22-6-3-1-2-5(4-6)7(21)9(14,15)11(18,19)20;/h1-4,7-8H,21H2;1H/t7-;/m1./s1.
What are the key properties of (1R)-2,2,3,3,3-pentafluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride?
(1R)-2,2,3,3,3-pentafluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride has a molecular weight of 377.63 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,3,3,3-pentafluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 171312484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).