(1S)-1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride

C9H9ClF5NO — CID 171250237

IUPAC(1S)-1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccccc1OC(F)F)C(F)(F)F
InChIInChI=1S/C9H8F5NO.ClH/c10-8(11)16-6-4-2-1-3-5(6)7(15)9(12,13)14;/h1-4,7-8H,15H2;1H/t7-;/m0./s1
InChIKeyGQTOFYRWLWSCGR-FJXQXJEOSA-N
MW277.62 g/mol
LogP3.27
Rot. Bonds3

About (1S)-1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride

(1S)-1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride (PubChem CID 171250237) has the molecular formula C9H9ClF5NO and a molecular weight of 277.62 g/mol. Its IUPAC name is (1S)-1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
PubChem CID171250237
Molecular FormulaC9H9ClF5NO
Molecular Weight277.62 g/mol
Exact Mass277.03
IUPAC Name(1S)-1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccccc1OC(F)F)C(F)(F)F
InChIInChI=1S/C9H8F5NO.ClH/c10-8(11)16-6-4-2-1-3-5(6)7(15)9(12,13)14;/h1-4,7-8H,15H2;1H/t7-;/m0./s1
InChIKeyGQTOFYRWLWSCGR-FJXQXJEOSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.62
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(difluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311871
(3S)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride
CID 171250247
(3R)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride
CID 171243512
(1S)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171249788
(1R)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171243055
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
(S)-cyclopropyl-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171230981
(1S)-1-[2-(difluoromethoxy)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171230995
methyl (3R)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-dimethylpropanoate
CID 171243498
2-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride
CID 73424692
2-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride
CID 118797641
(1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171211366

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride?
The IUPAC name of (1S)-1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride (CID 171250237) is (1S)-1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride?
The canonical SMILES for (1S)-1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride is Cl.N[C@@H](c1ccccc1OC(F)F)C(F)(F)F.
What is the InChIKey of (1S)-1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride?
The InChIKey is GQTOFYRWLWSCGR-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H8F5NO.ClH/c10-8(11)16-6-4-2-1-3-5(6)7(15)9(12,13)14;/h1-4,7-8H,15H2;1H/t7-;/m0./s1.
What are the key properties of (1S)-1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride?
(1S)-1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride has a molecular weight of 277.62 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride is sourced from PubChem (CID 171250237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).