(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine

C9H10F3NO — CID 97052813

IUPAC(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](N)C(F)F)cc1F
InChIInChI=1S/C9H10F3NO/c1-14-7-3-2-5(4-6(7)10)8(13)9(11)12/h2-4,8-9H,13H2,1H3/t8-/m1/s1
InChIKeyBSJSZDJLQOBJEX-MRVPVSSYSA-N
MW205.18 g/mol
LogP2.10
Rot. Bonds3

About (1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine

(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 97052813) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is (1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
PubChem CID97052813
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](N)C(F)F)cc1F
InChIInChI=1S/C9H10F3NO/c1-14-7-3-2-5(4-6(7)10)8(13)9(11)12/h2-4,8-9H,13H2,1H3/t8-/m1/s1
InChIKeyBSJSZDJLQOBJEX-MRVPVSSYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3,4-dimethoxyphenyl)-2,2-difluoroethanamine
CID 28973213
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
(1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171246839
(3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine
CID 116947406
1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939273
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
1-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine
CID 66446948
(1S)-2,2-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171249160
1-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine
CID 104995849
(1R,2S)-2-amino-1-cyclopentyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 171161937

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine (CID 97052813) is (1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine is COc1ccc([C@@H](N)C(F)F)cc1F.
What is the InChIKey of (1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is BSJSZDJLQOBJEX-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-14-7-3-2-5(4-6(7)10)8(13)9(11)12/h2-4,8-9H,13H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine?
(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine has a molecular weight of 205.18 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 97052813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).