(1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine

C9H11F2N — CID 125426218

IUPAC(1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine
SMILESCc1cccc([C@H](N)CF)c1F
InChIInChI=1S/C9H11F2N/c1-6-3-2-4-7(9(6)11)8(12)5-10/h2-4,8H,5,12H2,1H3/t8-/m1/s1
InChIKeyXWVCOHPMNYLUPC-MRVPVSSYSA-N
MW171.19 g/mol
LogP2.10
Rot. Bonds2

About (1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine

(1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine (PubChem CID 125426218) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is (1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine
PubChem CID125426218
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC Name(1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine
SMILESCc1cccc([C@H](N)CF)c1F
InChIInChI=1S/C9H11F2N/c1-6-3-2-4-7(9(6)11)8(12)5-10/h2-4,8H,5,12H2,1H3/t8-/m1/s1
InChIKeyXWVCOHPMNYLUPC-MRVPVSSYSA-N
XLogP2.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine
CID 130740137
(1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine
CID 124707209
2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 81477646
1-(2,6-dimethylphenyl)-2-fluoroethanamine
CID 130061517
2-(3,4-difluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 81477102
1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanamine
CID 105029224
2-(2-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 105032385
(2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol
CID 137495606
(2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 115859741
(1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol
CID 131081645
2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 107885313
1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane
CID 164564324

Frequently Asked Questions

What is the IUPAC name of (1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine?
The IUPAC name of (1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine (CID 125426218) is (1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine?
The canonical SMILES for (1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine is Cc1cccc([C@H](N)CF)c1F.
What is the InChIKey of (1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine?
The InChIKey is XWVCOHPMNYLUPC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11F2N/c1-6-3-2-4-7(9(6)11)8(12)5-10/h2-4,8H,5,12H2,1H3/t8-/m1/s1.
What are the key properties of (1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine?
(1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine has a molecular weight of 171.19 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine is sourced from PubChem (CID 125426218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).