(1S)-2-fluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride

C10H11ClF5NO — CID 171208580

IUPAC(1S)-2-fluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride
SMILESCl.N[C@H](CF)c1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C10H10F5NO.ClH/c11-5-8(16)6-2-1-3-7(4-6)17-10(14,15)9(12)13;/h1-4,8-9H,5,16H2;1H/t8-;/m1./s1
InChIKeyHTIAAKAXFAOZJW-DDWIOCJRSA-N
MW291.65 g/mol
LogP3.31
Rot. Bonds5

About (1S)-2-fluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride

(1S)-2-fluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride (PubChem CID 171208580) has the molecular formula C10H11ClF5NO and a molecular weight of 291.65 g/mol. Its IUPAC name is (1S)-2-fluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2-fluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride
PubChem CID171208580
Molecular FormulaC10H11ClF5NO
Molecular Weight291.65 g/mol
Exact Mass291.04
IUPAC Name(1S)-2-fluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride
SMILESCl.N[C@H](CF)c1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C10H10F5NO.ClH/c11-5-8(16)6-2-1-3-7(4-6)17-10(14,15)9(12)13;/h1-4,8-9H,5,16H2;1H/t8-;/m1./s1
InChIKeyHTIAAKAXFAOZJW-DDWIOCJRSA-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)-3,3,3-trifluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine
CID 171228193
(4R)-4-amino-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-ol
CID 171208640
(1S)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pentane-1,5-diamine
CID 171228173
(1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride
CID 171228229
(1R)-2,2,3,3,3-pentafluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride
CID 171312484
methyl (2R)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate;hydrochloride
CID 171228220
(1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220046
(1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
CID 171210172
(S)-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171242513
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225210
methyl (2S)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate
CID 171208633
(1S,2R)-2-amino-1-cyclobutyl-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol;hydrochloride
CID 171159807

Frequently Asked Questions

What is the IUPAC name of (1S)-2-fluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride?
The IUPAC name of (1S)-2-fluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride (CID 171208580) is (1S)-2-fluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for (1S)-2-fluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride?
The canonical SMILES for (1S)-2-fluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride is Cl.N[C@H](CF)c1cccc(OC(F)(F)C(F)F)c1.
What is the InChIKey of (1S)-2-fluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride?
The InChIKey is HTIAAKAXFAOZJW-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H10F5NO.ClH/c11-5-8(16)6-2-1-3-7(4-6)17-10(14,15)9(12)13;/h1-4,8-9H,5,16H2;1H/t8-;/m1./s1.
What are the key properties of (1S)-2-fluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride?
(1S)-2-fluoro-1-[3-(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 (1S)-2-fluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 171208580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).