(1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine

C9H9F4N — CID 56971906

IUPAC(1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1[C@@H](N)C(F)(F)F
InChIInChI=1S/C9H9F4N/c1-5-4-6(10)2-3-7(5)8(14)9(11,12)13/h2-4,8H,14H2,1H3/t8-/m1/s1
InChIKeySXXHCHHVMARHSX-MRVPVSSYSA-N
MW207.17 g/mol
LogP2.70
Rot. Bonds1

About (1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine

(1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 56971906) has the molecular formula C9H9F4N and a molecular weight of 207.17 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID56971906
Molecular FormulaC9H9F4N
Molecular Weight207.17 g/mol
Exact Mass207.07
IUPAC Name(1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1[C@@H](N)C(F)(F)F
InChIInChI=1S/C9H9F4N/c1-5-4-6(10)2-3-7(5)8(14)9(11,12)13/h2-4,8H,14H2,1H3/t8-/m1/s1
InChIKeySXXHCHHVMARHSX-MRVPVSSYSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
(1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine
CID 66512623
(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]-2,2,2-trifluoroethanamine
CID 66511138
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-fluorophenol
CID 66511072
1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine
CID 51358639
(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171242667
2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethanamine
CID 77128155
(1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171247942
1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 81278893
(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 28966440
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine (CID 56971906) is (1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine is Cc1cc(F)ccc1[C@@H](N)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is SXXHCHHVMARHSX-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9F4N/c1-5-4-6(10)2-3-7(5)8(14)9(11,12)13/h2-4,8H,14H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine?
(1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 207.17 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 56971906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).