(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride

C9H10Cl2F3NO — CID 171244636

IUPAC(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride
SMILESCOc1ccc(Cl)cc1[C@@H](N)C(F)(F)F.Cl
InChIInChI=1S/C9H9ClF3NO.ClH/c1-15-7-3-2-5(10)4-6(7)8(14)9(11,12)13;/h2-4,8H,14H2,1H3;1H/t8-;/m1./s1
InChIKeyFOMXTBXQVHHAII-DDWIOCJRSA-N
MW276.09 g/mol
LogP3.33
Rot. Bonds2

About (1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride

(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride (PubChem CID 171244636) has the molecular formula C9H10Cl2F3NO and a molecular weight of 276.09 g/mol. Its IUPAC name is (1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride
PubChem CID171244636
Molecular FormulaC9H10Cl2F3NO
Molecular Weight276.09 g/mol
Exact Mass275.01
IUPAC Name(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride
SMILESCOc1ccc(Cl)cc1[C@@H](N)C(F)(F)F.Cl
InChIInChI=1S/C9H9ClF3NO.ClH/c1-15-7-3-2-5(10)4-6(7)8(14)9(11,12)13;/h2-4,8H,14H2,1H3;1H/t8-;/m1./s1
InChIKeyFOMXTBXQVHHAII-DDWIOCJRSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 66511237
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 56971852
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 130039782
(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 28966440
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
ethyl (3S)-3-amino-3-(5-chloro-2-methoxyphenyl)-2,2-difluoropropanoate;hydrochloride
CID 171251366
(3S)-3-amino-3-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171244642
[1-(5-chloro-2-methoxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
CID 103312781
1-(5-chloro-2-methoxyphenyl)-2-ethoxy-2-methylpropan-1-amine
CID 116726239
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol
CID 65190623
(5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105140994

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride?
The IUPAC name of (1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride (CID 171244636) is (1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride is COc1ccc(Cl)cc1[C@@H](N)C(F)(F)F.Cl.
What is the InChIKey of (1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride?
The InChIKey is FOMXTBXQVHHAII-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H9ClF3NO.ClH/c1-15-7-3-2-5(10)4-6(7)8(14)9(11,12)13;/h2-4,8H,14H2,1H3;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride?
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride has a molecular weight of 276.09 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride is sourced from PubChem (CID 171244636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).