(3R)-3-amino-2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)propan-1-ol;hydrochloride

C11H14ClF4NO — CID 171249917

IUPAC(3R)-3-amino-2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)propan-1-ol;hydrochloride
SMILESCC(C)(CO)[C@@H](N)c1c(F)c(F)cc(F)c1F.Cl
InChIInChI=1S/C11H13F4NO.ClH/c1-11(2,4-17)10(16)7-8(14)5(12)3-6(13)9(7)15;/h3,10,17H,4,16H2,1-2H3;1H/t10-;/m0./s1
InChIKeyJMOUVOHLDZEDGX-PPHPATTJSA-N
MW287.68 g/mol
LogP2.68
Rot. Bonds3

About (3R)-3-amino-2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)propan-1-ol;hydrochloride

(3R)-3-amino-2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)propan-1-ol;hydrochloride (PubChem CID 171249917) has the molecular formula C11H14ClF4NO and a molecular weight of 287.68 g/mol. Its IUPAC name is (3R)-3-amino-2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)propan-1-ol;hydrochloride
PubChem CID171249917
Molecular FormulaC11H14ClF4NO
Molecular Weight287.68 g/mol
Exact Mass287.07
IUPAC Name(3R)-3-amino-2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)propan-1-ol;hydrochloride
SMILESCC(C)(CO)[C@@H](N)c1c(F)c(F)cc(F)c1F.Cl
InChIInChI=1S/C11H13F4NO.ClH/c1-11(2,4-17)10(16)7-8(14)5(12)3-6(13)9(7)15;/h3,10,17H,4,16H2,1-2H3;1H/t10-;/m0./s1
InChIKeyJMOUVOHLDZEDGX-PPHPATTJSA-N
XLogP2.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.68
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3,4,5-trifluorophenol
CID 171257728
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171253555
(3R)-3-amino-3-(6-chloro-2-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171249442
(3R)-3-amino-3-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247074
(3S)-3-amino-2,2-dimethyl-3-(2,4,6-trimethylphenyl)propan-1-ol
CID 131408123
(3S)-3-amino-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171239204
(3R)-3-amino-2,2-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-ol
CID 131473038
(3R)-3-amino-3-(2,3-dichloro-6-fluorophenyl)-2,2-dimethylpropan-1-ol
CID 131566185
(3R)-3-amino-3-(2-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171246300
(3S)-3-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247249
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromo-6-fluorophenol;hydrochloride
CID 171256743
(3S)-3-amino-3-[2-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171242854

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)propan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-amino-2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)propan-1-ol;hydrochloride (CID 171249917) is (3R)-3-amino-2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-amino-2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-amino-2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)propan-1-ol;hydrochloride is CC(C)(CO)[C@@H](N)c1c(F)c(F)cc(F)c1F.Cl.
What is the InChIKey of (3R)-3-amino-2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)propan-1-ol;hydrochloride?
The InChIKey is JMOUVOHLDZEDGX-PPHPATTJSA-N. The full InChI is InChI=1S/C11H13F4NO.ClH/c1-11(2,4-17)10(16)7-8(14)5(12)3-6(13)9(7)15;/h3,10,17H,4,16H2,1-2H3;1H/t10-;/m0./s1.
What are the key properties of (3R)-3-amino-2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)propan-1-ol;hydrochloride?
(3R)-3-amino-2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)propan-1-ol;hydrochloride has a molecular weight of 287.68 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171249917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).