(1R)-1-(4-chloro-2,6-difluorophenyl)-2-fluoroethanamine;hydrochloride

C8H8Cl2F3N — CID 171230517

IUPAC(1R)-1-(4-chloro-2,6-difluorophenyl)-2-fluoroethanamine;hydrochloride
SMILESCl.N[C@@H](CF)c1c(F)cc(Cl)cc1F
InChIInChI=1S/C8H7ClF3N.ClH/c9-4-1-5(11)8(6(12)2-4)7(13)3-10;/h1-2,7H,3,13H2;1H/t7-;/m0./s1
InChIKeyDVDGKDRGESYDNK-FJXQXJEOSA-N
MW246.06 g/mol
LogP3.01
Rot. Bonds2

About (1R)-1-(4-chloro-2,6-difluorophenyl)-2-fluoroethanamine;hydrochloride

(1R)-1-(4-chloro-2,6-difluorophenyl)-2-fluoroethanamine;hydrochloride (PubChem CID 171230517) has the molecular formula C8H8Cl2F3N and a molecular weight of 246.06 g/mol. Its IUPAC name is (1R)-1-(4-chloro-2,6-difluorophenyl)-2-fluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-chloro-2,6-difluorophenyl)-2-fluoroethanamine;hydrochloride
PubChem CID171230517
Molecular FormulaC8H8Cl2F3N
Molecular Weight246.06 g/mol
Exact Mass245.00
IUPAC Name(1R)-1-(4-chloro-2,6-difluorophenyl)-2-fluoroethanamine;hydrochloride
SMILESCl.N[C@@H](CF)c1c(F)cc(Cl)cc1F
InChIInChI=1S/C8H7ClF3N.ClH/c9-4-1-5(11)8(6(12)2-4)7(13)3-10;/h1-2,7H,3,13H2;1H/t7-;/m0./s1
InChIKeyDVDGKDRGESYDNK-FJXQXJEOSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171210934
(1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 131403549
(1R)-1-(4-chloro-2,6-difluorophenyl)pentan-1-amine;hydrochloride
CID 171210929
(1S)-1-(2-chloro-3,6-difluorophenyl)-2-fluoroethanamine
CID 124707711
(S)-(4-chloro-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 171230540
(1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride
CID 171224143
(1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine
CID 124707721
5-chloro-1,3-difluoro-2-(fluoromethyl)benzene
CID 130776716
(S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine
CID 131484031
(1S)-1-(3,6-dichloro-2-fluorophenyl)-2-fluoroethanamine;hydrochloride
CID 171215618
1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine
CID 130061869
1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 105055587

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-2,6-difluorophenyl)-2-fluoroethanamine;hydrochloride?
The IUPAC name of (1R)-1-(4-chloro-2,6-difluorophenyl)-2-fluoroethanamine;hydrochloride (CID 171230517) is (1R)-1-(4-chloro-2,6-difluorophenyl)-2-fluoroethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-chloro-2,6-difluorophenyl)-2-fluoroethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(4-chloro-2,6-difluorophenyl)-2-fluoroethanamine;hydrochloride is Cl.N[C@@H](CF)c1c(F)cc(Cl)cc1F.
What is the InChIKey of (1R)-1-(4-chloro-2,6-difluorophenyl)-2-fluoroethanamine;hydrochloride?
The InChIKey is DVDGKDRGESYDNK-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H7ClF3N.ClH/c9-4-1-5(11)8(6(12)2-4)7(13)3-10;/h1-2,7H,3,13H2;1H/t7-;/m0./s1.
What are the key properties of (1R)-1-(4-chloro-2,6-difluorophenyl)-2-fluoroethanamine;hydrochloride?
(1R)-1-(4-chloro-2,6-difluorophenyl)-2-fluoroethanamine;hydrochloride has a molecular weight of 246.06 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chloro-2,6-difluorophenyl)-2-fluoroethanamine;hydrochloride is sourced from PubChem (CID 171230517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).