2-[(1R)-1-aminoethyl]-6-fluorobenzaldehyde

C9H10FNO — CID 174983954

IUPAC2-[(1R)-1-aminoethyl]-6-fluorobenzaldehyde
SMILESC[C@@H](N)c1cccc(F)c1C=O
InChIInChI=1S/C9H10FNO/c1-6(11)7-3-2-4-9(10)8(7)5-12/h2-6H,11H2,1H3/t6-/m1/s1
InChIKeyMOVXTJUIMGGGLD-ZCFIWIBFSA-N
MW167.18 g/mol
LogP1.66
Rot. Bonds2

About 2-[(1R)-1-aminoethyl]-6-fluorobenzaldehyde

2-[(1R)-1-aminoethyl]-6-fluorobenzaldehyde (PubChem CID 174983954) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-6-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-6-fluorobenzaldehyde
PubChem CID174983954
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name2-[(1R)-1-aminoethyl]-6-fluorobenzaldehyde
SMILESC[C@@H](N)c1cccc(F)c1C=O
InChIInChI=1S/C9H10FNO/c1-6(11)7-3-2-4-9(10)8(7)5-12/h2-6H,11H2,1H3/t6-/m1/s1
InChIKeyMOVXTJUIMGGGLD-ZCFIWIBFSA-N
XLogP1.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,6-difluorobenzaldehyde;(1S)-1-(2,6-difluorophenyl)ethanamine;methane;chloride
CID 159985297
2-(difluoromethyl)-6-fluorobenzaldehyde
CID 84654806
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
2-(4-amino-1,2-dihydroxybutyl)-6-fluorobenzaldehyde
CID 171881179
(E)-4-(2,6-difluorophenyl)but-3-en-2-amine
CID 103091649
2-fluoro-6-(2-methylpropoxy)benzaldehyde
CID 86622730
2-amino-1-(2,3-difluorophenyl)propan-1-ol
CID 63669406
1-[2-(2,3-difluorophenoxy)phenyl]ethanamine
CID 55143803
2-(3-fluoro-2-sulfanylphenyl)propanal
CID 134640182
2-fluoro-6-methylbenzaldehyde;methyl formate
CID 163291758
2-hydroxy-6-propan-2-ylbenzaldehyde
CID 45096217
2-chloro-6-[1-(2-fluorophenyl)ethyl-methylamino]benzaldehyde
CID 63536816

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-6-fluorobenzaldehyde?
The IUPAC name of 2-[(1R)-1-aminoethyl]-6-fluorobenzaldehyde (CID 174983954) is 2-[(1R)-1-aminoethyl]-6-fluorobenzaldehyde.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-6-fluorobenzaldehyde?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-6-fluorobenzaldehyde is C[C@@H](N)c1cccc(F)c1C=O.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-6-fluorobenzaldehyde?
The InChIKey is MOVXTJUIMGGGLD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10FNO/c1-6(11)7-3-2-4-9(10)8(7)5-12/h2-6H,11H2,1H3/t6-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-6-fluorobenzaldehyde?
2-[(1R)-1-aminoethyl]-6-fluorobenzaldehyde has a molecular weight of 167.18 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-6-fluorobenzaldehyde is sourced from PubChem (CID 174983954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).