(1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine

C8H8ClF2N — CID 130707834

IUPAC(1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine
SMILESC[C@@H](N)c1c(F)ccc(Cl)c1F
InChIInChI=1S/C8H8ClF2N/c1-4(12)7-6(10)3-2-5(9)8(7)11/h2-4H,12H2,1H3/t4-/m1/s1
InChIKeyUKEISJPGIGAFMV-SCSAIBSYSA-N
MW191.61 g/mol
LogP2.64
Rot. Bonds1

About (1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine

(1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine (PubChem CID 130707834) has the molecular formula C8H8ClF2N and a molecular weight of 191.61 g/mol. Its IUPAC name is (1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine
PubChem CID130707834
Molecular FormulaC8H8ClF2N
Molecular Weight191.61 g/mol
Exact Mass191.03
IUPAC Name(1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine
SMILESC[C@@H](N)c1c(F)ccc(Cl)c1F
InChIInChI=1S/C8H8ClF2N/c1-4(12)7-6(10)3-2-5(9)8(7)11/h2-4H,12H2,1H3/t4-/m1/s1
InChIKeyUKEISJPGIGAFMV-SCSAIBSYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.61
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(6-chloro-2,3-difluorophenyl)ethanamine
CID 130512093
(1R)-1-(2,3-dichloro-6-fluorophenyl)ethanamine;hydrochloride
CID 171215578
2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol
CID 84687203
(1R)-1-(3-chloro-2,6-difluorophenyl)propan-1-amine
CID 130713439
1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 55283283
(1R)-1-(3-chloro-2,6-difluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171208998
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
methyl (2R)-2-amino-2-(3-chloro-2,6-difluorophenyl)acetate;hydrochloride
CID 171228604
(1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 104892670
1-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 55272050
3-(3-chloro-2,6-difluorophenyl)butanoic acid
CID 84698122
(1S)-1-(3,6-dichloro-2-fluorophenyl)-2,2-difluoroethanamine
CID 130707442

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine?
The IUPAC name of (1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine (CID 130707834) is (1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine?
The canonical SMILES for (1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine is C[C@@H](N)c1c(F)ccc(Cl)c1F.
What is the InChIKey of (1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine?
The InChIKey is UKEISJPGIGAFMV-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H8ClF2N/c1-4(12)7-6(10)3-2-5(9)8(7)11/h2-4H,12H2,1H3/t4-/m1/s1.
What are the key properties of (1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine?
(1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine has a molecular weight of 191.61 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine is sourced from PubChem (CID 130707834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).