(1R)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanamine

C15H12ClF4NO — CID 66510475

IUPAC(1R)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanamine
SMILESN[C@H](c1cccc(OCc2c(F)cccc2Cl)c1)C(F)(F)F
InChIInChI=1S/C15H12ClF4NO/c16-12-5-2-6-13(17)11(12)8-22-10-4-1-3-9(7-10)14(21)15(18,19)20/h1-7,14H,8,21H2/t14-/m1/s1
InChIKeyNCRRERURFFEZMZ-CQSZACIVSA-N
MW333.71 g/mol
LogP4.62
Rot. Bonds4

About (1R)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanamine

(1R)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanamine (PubChem CID 66510475) has the molecular formula C15H12ClF4NO and a molecular weight of 333.71 g/mol. Its IUPAC name is (1R)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1R)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanamine
PubChem CID66510475
Molecular FormulaC15H12ClF4NO
Molecular Weight333.71 g/mol
Exact Mass333.05
IUPAC Name(1R)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanamine
SMILESN[C@H](c1cccc(OCc2c(F)cccc2Cl)c1)C(F)(F)F
InChIInChI=1S/C15H12ClF4NO/c16-12-5-2-6-13(17)11(12)8-22-10-4-1-3-9(7-10)14(21)15(18,19)20/h1-7,14H,8,21H2/t14-/m1/s1
InChIKeyNCRRERURFFEZMZ-CQSZACIVSA-N
XLogP4.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.71
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2,2,2-trifluoro-1-[3-[(3-fluorophenyl)methoxy]phenyl]ethanamine
CID 66512164
1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
CID 60627894
(1R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine
CID 63367550
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 61495804
3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 170874555
(1S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51993379
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 61496605
5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline
CID 39365275
3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol;hydrochloride
CID 170874554
3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-3-methoxypropan-1-amine
CID 170001010
2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]benzenecarbothioamide
CID 102724350
N-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 20989770

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanamine?
The IUPAC name of (1R)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanamine (CID 66510475) is (1R)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1R)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for (1R)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanamine is N[C@H](c1cccc(OCc2c(F)cccc2Cl)c1)C(F)(F)F.
What is the InChIKey of (1R)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanamine?
The InChIKey is NCRRERURFFEZMZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H12ClF4NO/c16-12-5-2-6-13(17)11(12)8-22-10-4-1-3-9(7-10)14(21)15(18,19)20/h1-7,14H,8,21H2/t14-/m1/s1.
What are the key properties of (1R)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanamine?
(1R)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanamine has a molecular weight of 333.71 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 66510475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).