carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine

C11H14F3NO3 — CID 118040884

IUPACcarbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESC[C@@H](N)Cc1cccc(C(F)(F)F)c1.O=C(O)O
InChIInChI=1S/C10H12F3N.CH2O3/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13;2-1(3)4/h2-4,6-7H,5,14H2,1H3;(H2,2,3,4)/t7-;/m1./s1
InChIKeyZONCMSQPJYHFPL-OGFXRTJISA-N
MW265.23 g/mol
LogP2.82
Rot. Bonds2

About carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine

carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 118040884) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Namecarbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID118040884
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Namecarbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESC[C@@H](N)Cc1cccc(C(F)(F)F)c1.O=C(O)O
InChIInChI=1S/C10H12F3N.CH2O3/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13;2-1(3)4/h2-4,6-7H,5,14H2,1H3;(H2,2,3,4)/t7-;/m1./s1
InChIKeyZONCMSQPJYHFPL-OGFXRTJISA-N
XLogP2.82
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
CID 70396807
1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine
CID 84727054
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 105495790
[(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propyl] carbamate;hydrochloride
CID 86694778
(2S)-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid
CID 70500671
1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine
CID 69374582
2-bromo-3-[3-(trifluoromethyl)phenyl]propanamide
CID 104513003
2-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 66632722
diethyl 2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate
CID 53401794
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642

Frequently Asked Questions

What is the IUPAC name of carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine (CID 118040884) is carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine is C[C@@H](N)Cc1cccc(C(F)(F)F)c1.O=C(O)O.
What is the InChIKey of carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is ZONCMSQPJYHFPL-OGFXRTJISA-N. The full InChI is InChI=1S/C10H12F3N.CH2O3/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13;2-1(3)4/h2-4,6-7H,5,14H2,1H3;(H2,2,3,4)/t7-;/m1./s1.
What are the key properties of carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 265.23 g/mol, XLogP of 2.82, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 118040884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).