[(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propyl] carbamate;hydrochloride

C11H14ClF3N2O2 — CID 86694778

IUPAC[(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propyl] carbamate;hydrochloride
SMILESCl.NC(=O)OC[C@H](N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O2.ClH/c12-11(13,14)8-3-1-2-7(4-8)5-9(15)6-18-10(16)17;/h1-4,9H,5-6,15H2,(H2,16,17);1H/t9-;/m1./s1
InChIKeyWSGGPBHJPCIQJQ-SBSPUUFOSA-N
MW298.69 g/mol
LogP2.09
Rot. Bonds4

About [(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propyl] carbamate;hydrochloride

[(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propyl] carbamate;hydrochloride (PubChem CID 86694778) has the molecular formula C11H14ClF3N2O2 and a molecular weight of 298.69 g/mol. Its IUPAC name is [(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propyl] carbamate;hydrochloride.

Molecular Properties

Compound Name[(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propyl] carbamate;hydrochloride
PubChem CID86694778
Molecular FormulaC11H14ClF3N2O2
Molecular Weight298.69 g/mol
Exact Mass298.07
IUPAC Name[(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propyl] carbamate;hydrochloride
SMILESCl.NC(=O)OC[C@H](N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O2.ClH/c12-11(13,14)8-3-1-2-7(4-8)5-9(15)6-18-10(16)17;/h1-4,9H,5-6,15H2,(H2,16,17);1H/t9-;/m1./s1
InChIKeyWSGGPBHJPCIQJQ-SBSPUUFOSA-N
XLogP2.09
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.69
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,2-trifluoroethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 103214868
(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
CID 70396807
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
2-bromo-3-[3-(trifluoromethyl)phenyl]propanamide
CID 104513003
diethyl 2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate
CID 53401794
2-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 66632722
acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate
CID 172866706
(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 96706913
dibenzyl 2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate
CID 10503338
2-amino-N-methoxy-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 154975964
(2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid
CID 175923615
[(2R)-2-amino-3-phenylpropyl] acetate;[(2S)-2-amino-3-phenylpropyl] carbamate
CID 160831000

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propyl] carbamate;hydrochloride?
The IUPAC name of [(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propyl] carbamate;hydrochloride (CID 86694778) is [(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propyl] carbamate;hydrochloride.
What is the SMILES notation for [(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propyl] carbamate;hydrochloride?
The canonical SMILES for [(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propyl] carbamate;hydrochloride is Cl.NC(=O)OC[C@H](N)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of [(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propyl] carbamate;hydrochloride?
The InChIKey is WSGGPBHJPCIQJQ-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H13F3N2O2.ClH/c12-11(13,14)8-3-1-2-7(4-8)5-9(15)6-18-10(16)17;/h1-4,9H,5-6,15H2,(H2,16,17);1H/t9-;/m1./s1.
What are the key properties of [(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propyl] carbamate;hydrochloride?
[(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propyl] carbamate;hydrochloride has a molecular weight of 298.69 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propyl] carbamate;hydrochloride is sourced from PubChem (CID 86694778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).