(1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride

C10H11ClF5NO — CID 171228229

IUPAC(1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride
SMILESCl.N[C@@H](CF)c1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C10H10F5NO.ClH/c11-5-8(16)6-1-3-7(4-2-6)17-10(14,15)9(12)13;/h1-4,8-9H,5,16H2;1H/t8-;/m0./s1
InChIKeyZEUPHPQUMZNMNB-QRPNPIFTSA-N
MW291.65 g/mol
LogP3.31
Rot. Bonds5

About (1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride

(1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride (PubChem CID 171228229) has the molecular formula C10H11ClF5NO and a molecular weight of 291.65 g/mol. Its IUPAC name is (1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride
PubChem CID171228229
Molecular FormulaC10H11ClF5NO
Molecular Weight291.65 g/mol
Exact Mass291.04
IUPAC Name(1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride
SMILESCl.N[C@@H](CF)c1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C10H10F5NO.ClH/c11-5-8(16)6-1-3-7(4-2-6)17-10(14,15)9(12)13;/h1-4,8-9H,5,16H2;1H/t8-;/m0./s1
InChIKeyZEUPHPQUMZNMNB-QRPNPIFTSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.65
LogP ≤ 53.31
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

(1S)-3-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride
CID 171228261
(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
(1S)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butane-1,4-diamine;hydrochloride
CID 171228235
(1S)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-amine
CID 171228244
(1S)-2-fluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride
CID 171208580
(1S)-3-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]but-3-en-1-amine;hydrochloride
CID 171228277
(1S)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pentan-1-amine
CID 171228248
1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethane-1,2-diamine
CID 170894654
(3S)-3-amino-2,2-dimethyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride
CID 171249266
(1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171313749
(1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 171227277

Frequently Asked Questions

What is the IUPAC name of (1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride?
The IUPAC name of (1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride (CID 171228229) is (1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for (1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride?
The canonical SMILES for (1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride is Cl.N[C@@H](CF)c1ccc(OC(F)(F)C(F)F)cc1.
What is the InChIKey of (1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride?
The InChIKey is ZEUPHPQUMZNMNB-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H10F5NO.ClH/c11-5-8(16)6-1-3-7(4-2-6)17-10(14,15)9(12)13;/h1-4,8-9H,5,16H2;1H/t8-;/m0./s1.
What are the key properties of (1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride?
(1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride has a molecular weight of 291.65 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 171228229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).