(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine

C10H6F9N — CID 66512665

IUPAC(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
SMILESN[C@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F9N/c11-8(12,13)4-1-2-5(7(20)10(17,18)19)6(3-4)9(14,15)16/h1-3,7H,20H2/t7-/m1/s1
InChIKeyAQMQORVDOWEXCC-SSDOTTSWSA-N
MW311.15 g/mol
LogP4.29
Rot. Bonds1

About (1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine

(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine (PubChem CID 66512665) has the molecular formula C10H6F9N and a molecular weight of 311.15 g/mol. Its IUPAC name is (1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
PubChem CID66512665
Molecular FormulaC10H6F9N
Molecular Weight311.15 g/mol
Exact Mass311.04
IUPAC Name(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
SMILESN[C@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F9N/c11-8(12,13)4-1-2-5(7(20)10(17,18)19)6(3-4)9(14,15)16/h1-3,7H,20H2/t7-/m1/s1
InChIKeyAQMQORVDOWEXCC-SSDOTTSWSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride
CID 171210217
(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2-difluoroethanamine;hydrochloride
CID 171249850
(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171242667
(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 171242192
(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171242193
(1S)-1-[2,4-bis(trifluoromethyl)phenyl]propane-1,3-diamine;hydrochloride
CID 171229824
1-propan-2-yl-2,4-bis(trifluoromethyl)benzene
CID 20613821
(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 28501880
(1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171249579
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171210222
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]but-3-en-1-amine;hydrochloride
CID 171210234
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine
CID 171210265

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine?
The IUPAC name of (1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine (CID 66512665) is (1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for (1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine is N[C@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)C(F)(F)F.
What is the InChIKey of (1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine?
The InChIKey is AQMQORVDOWEXCC-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H6F9N/c11-8(12,13)4-1-2-5(7(20)10(17,18)19)6(3-4)9(14,15)16/h1-3,7H,20H2/t7-/m1/s1.
What are the key properties of (1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine?
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine has a molecular weight of 311.15 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 66512665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).