(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride

C9H12ClF2NO — CID 171220989

IUPAC(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1ccc([C@@H](N)CF)cc1F.Cl
InChIInChI=1S/C9H11F2NO.ClH/c1-13-9-3-2-6(4-7(9)11)8(12)5-10;/h2-4,8H,5,12H2,1H3;1H/t8-;/m0./s1
InChIKeyGNLRPHIMALZFOX-QRPNPIFTSA-N
MW223.65 g/mol
LogP2.23
Rot. Bonds3

About (1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride

(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride (PubChem CID 171220989) has the molecular formula C9H12ClF2NO and a molecular weight of 223.65 g/mol. Its IUPAC name is (1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
PubChem CID171220989
Molecular FormulaC9H12ClF2NO
Molecular Weight223.65 g/mol
Exact Mass223.06
IUPAC Name(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1ccc([C@@H](N)CF)cc1F.Cl
InChIInChI=1S/C9H11F2NO.ClH/c1-13-9-3-2-6(4-7(9)11)8(12)5-10;/h2-4,8H,5,12H2,1H3;1H/t8-;/m0./s1
InChIKeyGNLRPHIMALZFOX-QRPNPIFTSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.65
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
CID 171221010
(1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171201487
(1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225474
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
CID 43474211
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 116861391
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116940504
3-ethyl-1-(3-fluoro-4-methoxyphenyl)pentan-1-amine
CID 105028399
1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine
CID 115845654
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 65096717
1-(3-fluoro-4-methoxyphenyl)-3-methylbut-3-en-1-amine
CID 105004270

Frequently Asked Questions

What is the IUPAC name of (1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of (1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride (CID 171220989) is (1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride is COc1ccc([C@@H](N)CF)cc1F.Cl.
What is the InChIKey of (1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride?
The InChIKey is GNLRPHIMALZFOX-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H11F2NO.ClH/c1-13-9-3-2-6(4-7(9)11)8(12)5-10;/h2-4,8H,5,12H2,1H3;1H/t8-;/m0./s1.
What are the key properties of (1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride?
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride has a molecular weight of 223.65 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171220989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).