(4R)-4-amino-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-ol

C12H15F4NO2 — CID 171208640

IUPAC(4R)-4-amino-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-ol
SMILESN[C@H](CCCO)c1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C12H15F4NO2/c13-11(14)12(15,16)19-9-4-1-3-8(7-9)10(17)5-2-6-18/h1,3-4,7,10-11,18H,2,5-6,17H2/t10-/m1/s1
InChIKeyUBBVFNOZCIYKIG-SNVBAGLBSA-N
MW281.25 g/mol
LogP2.70
Rot. Bonds7

About (4R)-4-amino-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-ol

(4R)-4-amino-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-ol (PubChem CID 171208640) has the molecular formula C12H15F4NO2 and a molecular weight of 281.25 g/mol. Its IUPAC name is (4R)-4-amino-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-ol.

Molecular Properties

Compound Name(4R)-4-amino-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-ol
PubChem CID171208640
Molecular FormulaC12H15F4NO2
Molecular Weight281.25 g/mol
Exact Mass281.10
IUPAC Name(4R)-4-amino-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-ol
SMILESN[C@H](CCCO)c1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C12H15F4NO2/c13-11(14)12(15,16)19-9-4-1-3-8(7-9)10(17)5-2-6-18/h1,3-4,7,10-11,18H,2,5-6,17H2/t10-/m1/s1
InChIKeyUBBVFNOZCIYKIG-SNVBAGLBSA-N
XLogP2.70
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pentane-1,5-diamine
CID 171228173
(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
3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 170874621
(1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
CID 171210172
(4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171226401
(1S)-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171229785
(1R)-2,2,3,3,3-pentafluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride
CID 171312484
methyl (2S)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate
CID 171208633
1-[3-(trifluoromethoxy)phenyl]nonan-1-amine
CID 115854116
(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine
CID 94895047
4-ethoxy-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 105145885

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-ol?
The IUPAC name of (4R)-4-amino-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-ol (CID 171208640) is (4R)-4-amino-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-ol.
What is the SMILES notation for (4R)-4-amino-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-ol?
The canonical SMILES for (4R)-4-amino-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-ol is N[C@H](CCCO)c1cccc(OC(F)(F)C(F)F)c1.
What is the InChIKey of (4R)-4-amino-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-ol?
The InChIKey is UBBVFNOZCIYKIG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15F4NO2/c13-11(14)12(15,16)19-9-4-1-3-8(7-9)10(17)5-2-6-18/h1,3-4,7,10-11,18H,2,5-6,17H2/t10-/m1/s1.
What are the key properties of (4R)-4-amino-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-ol?
(4R)-4-amino-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-ol has a molecular weight of 281.25 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-ol is sourced from PubChem (CID 171208640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).