(1R)-2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride

C12H14ClF4N — CID 171209483

IUPAC(1R)-2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
SMILESCl.N[C@H](CC1CC1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C12H13F4N.ClH/c13-10-6-8(11(17)5-7-1-2-7)3-4-9(10)12(14,15)16;/h3-4,6-7,11H,1-2,5,17H2;1H/t11-;/m1./s1
InChIKeyXVTJOCGZEALUIE-RFVHGSKJSA-N
MW283.70 g/mol
LogP4.07
Rot. Bonds3

About (1R)-2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride

(1R)-2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride (PubChem CID 171209483) has the molecular formula C12H14ClF4N and a molecular weight of 283.70 g/mol. Its IUPAC name is (1R)-2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
PubChem CID171209483
Molecular FormulaC12H14ClF4N
Molecular Weight283.70 g/mol
Exact Mass283.08
IUPAC Name(1R)-2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
SMILESCl.N[C@H](CC1CC1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C12H13F4N.ClH/c13-10-6-8(11(17)5-7-1-2-7)3-4-9(10)12(14,15)16;/h3-4,6-7,11H,1-2,5,17H2;1H/t11-;/m1./s1
InChIKeyXVTJOCGZEALUIE-RFVHGSKJSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171222160
2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
CID 115847288
1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(oxolan-2-yl)ethanamine
CID 107288743
(1R)-2-cyclopropyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 171209096
1-[4-(aminomethyl)-3-fluorophenyl]-2-cyclopropylethanamine
CID 150062889
1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine
CID 103693328
(1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine
CID 171209484
(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171229067
2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709
(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine;hydrochloride
CID 171249564
4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
CID 107289147
(4R)-4-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171209513

Frequently Asked Questions

What is the IUPAC name of (1R)-2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The IUPAC name of (1R)-2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride (CID 171209483) is (1R)-2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for (1R)-2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The canonical SMILES for (1R)-2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride is Cl.N[C@H](CC1CC1)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of (1R)-2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The InChIKey is XVTJOCGZEALUIE-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H13F4N.ClH/c13-10-6-8(11(17)5-7-1-2-7)3-4-9(10)12(14,15)16;/h3-4,6-7,11H,1-2,5,17H2;1H/t11-;/m1./s1.
What are the key properties of (1R)-2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
(1R)-2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride has a molecular weight of 283.70 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 171209483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).