(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine

C8H8ClF2N — CID 124707714

IUPAC(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
SMILESN[C@H](CF)c1c(F)cccc1Cl
InChIInChI=1S/C8H8ClF2N/c9-5-2-1-3-6(11)8(5)7(12)4-10/h1-3,7H,4,12H2/t7-/m1/s1
InChIKeyPXDJNHGVJRCNAC-SSDOTTSWSA-N
MW191.61 g/mol
LogP2.45
Rot. Bonds2

About (1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine

(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine (PubChem CID 124707714) has the molecular formula C8H8ClF2N and a molecular weight of 191.61 g/mol. Its IUPAC name is (1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine.

Molecular Properties

Compound Name(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
PubChem CID124707714
Molecular FormulaC8H8ClF2N
Molecular Weight191.61 g/mol
Exact Mass191.03
IUPAC Name(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
SMILESN[C@H](CF)c1c(F)cccc1Cl
InChIInChI=1S/C8H8ClF2N/c9-5-2-1-3-6(11)8(5)7(12)4-10/h1-3,7H,4,12H2/t7-/m1/s1
InChIKeyPXDJNHGVJRCNAC-SSDOTTSWSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.61
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine
CID 131585694
(1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171200162
(1S)-1-(2-chloro-6-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171219678
(3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride
CID 171219710
(4R)-4-amino-4-(2-chloro-6-fluorophenyl)butan-1-ol;hydrochloride
CID 171200181
(1R)-1-(2-chloro-6-fluorophenyl)pent-4-en-1-amine
CID 171200170
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
(1S)-1-(2-chloro-6-fluorophenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171219703
(1S)-1-(2-chloro-3,6-difluorophenyl)-2-fluoroethanamine
CID 124707711
(2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile
CID 28700571
3-(2-chloro-6-fluorophenyl)butan-2-amine
CID 126977015
1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine
CID 43118828

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine?
The IUPAC name of (1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine (CID 124707714) is (1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine.
What is the SMILES notation for (1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine?
The canonical SMILES for (1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine is N[C@H](CF)c1c(F)cccc1Cl.
What is the InChIKey of (1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine?
The InChIKey is PXDJNHGVJRCNAC-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8ClF2N/c9-5-2-1-3-6(11)8(5)7(12)4-10/h1-3,7H,4,12H2/t7-/m1/s1.
What are the key properties of (1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine?
(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine has a molecular weight of 191.61 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine is sourced from PubChem (CID 124707714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).