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

C9H10F3N — CID 130700725

IUPAC(1S)-2,2-difluoro-1-(3-fluoro-2-methylphenyl)ethanamine
SMILESCc1c(F)cccc1[C@H](N)C(F)F
InChIInChI=1S/C9H10F3N/c1-5-6(8(13)9(11)12)3-2-4-7(5)10/h2-4,8-9H,13H2,1H3/t8-/m0/s1
InChIKeyGBHKFHFNCLVADX-QMMMGPOBSA-N
MW189.18 g/mol
LogP2.40
Rot. Bonds2

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

(1S)-2,2-difluoro-1-(3-fluoro-2-methylphenyl)ethanamine (PubChem CID 130700725) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is (1S)-2,2-difluoro-1-(3-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-2,2-difluoro-1-(3-fluoro-2-methylphenyl)ethanamine
PubChem CID130700725
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name(1S)-2,2-difluoro-1-(3-fluoro-2-methylphenyl)ethanamine
SMILESCc1c(F)cccc1[C@H](N)C(F)F
InChIInChI=1S/C9H10F3N/c1-5-6(8(13)9(11)12)3-2-4-7(5)10/h2-4,8-9H,13H2,1H3/t8-/m0/s1
InChIKeyGBHKFHFNCLVADX-QMMMGPOBSA-N
XLogP2.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 55253692
(1S,2R)-1-amino-1-(3-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-ol
CID 171267756
(2S,3S)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methylphenyl)propan-2-ol;hydrochloride
CID 171267758
(1S)-1-(3-fluoro-2-methylphenyl)propane-1,3-diamine
CID 131199254
(1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine
CID 45072383
(1R)-3,3-difluoro-1-(3-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
CID 171313633
(1R,2S)-2-amino-1-cyclopropyl-2-(3-fluoro-2-methylphenyl)ethanol;hydrochloride
CID 171267747
2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanamine;hydrochloride
CID 166403152
ethyl (3S)-3-amino-2-fluoro-3-(3-fluoro-2-methylphenyl)propanoate;hydrochloride
CID 171247677
(1S)-1-(2-bromo-3-fluorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 171247886
2-amino-1-(3-fluoro-2-methylphenyl)ethanol
CID 83695306
(3S)-3-amino-3-(3-fluoro-2-methylphenyl)propanoic acid
CID 55272321

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluoro-1-(3-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of (1S)-2,2-difluoro-1-(3-fluoro-2-methylphenyl)ethanamine (CID 130700725) is (1S)-2,2-difluoro-1-(3-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-2,2-difluoro-1-(3-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for (1S)-2,2-difluoro-1-(3-fluoro-2-methylphenyl)ethanamine is Cc1c(F)cccc1[C@H](N)C(F)F.
What is the InChIKey of (1S)-2,2-difluoro-1-(3-fluoro-2-methylphenyl)ethanamine?
The InChIKey is GBHKFHFNCLVADX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10F3N/c1-5-6(8(13)9(11)12)3-2-4-7(5)10/h2-4,8-9H,13H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-2,2-difluoro-1-(3-fluoro-2-methylphenyl)ethanamine?
(1S)-2,2-difluoro-1-(3-fluoro-2-methylphenyl)ethanamine has a molecular weight of 189.18 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-difluoro-1-(3-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 130700725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).