6-fluoro-3,4-dihydro-1H-isochromen-4-amine

C9H10FNO — CID 130002674

IUPAC6-fluoro-3,4-dihydro-1H-isochromen-4-amine
SMILESNC1COCc2ccc(F)cc21
InChIInChI=1S/C9H10FNO/c10-7-2-1-6-4-12-5-9(11)8(6)3-7/h1-3,9H,4-5,11H2
InChIKeyGTGSJGFTVSDABR-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.36
Rot. Bonds

About 6-fluoro-3,4-dihydro-1H-isochromen-4-amine

6-fluoro-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 130002674) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 6-fluoro-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound Name6-fluoro-3,4-dihydro-1H-isochromen-4-amine
PubChem CID130002674
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name6-fluoro-3,4-dihydro-1H-isochromen-4-amine
SMILESNC1COCc2ccc(F)cc21
InChIInChI=1S/C9H10FNO/c10-7-2-1-6-4-12-5-9(11)8(6)3-7/h1-3,9H,4-5,11H2
InChIKeyGTGSJGFTVSDABR-UHFFFAOYSA-N
XLogP1.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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((3S)-3,4-dihydro-1H-2-benzopyran-3-yl)methanamine
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2-(Benzyloxy)-1-phenylethan-1-amine
CID 357710
[2-(Ethoxymethyl)phenyl]methanamine
CID 16792336
3,4-dihydro-1H-2-benzopyran-4-amine hydrochloride
CID 17750402
(3,4-dihydro-1H-2-benzopyran-1-yl)methanamine hydrochloride
CID 44658136
(3,4-dihydro-1H-2-benzopyran-6-yl)methanamine
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1-(3,4-dihydro-1H-2-benzopyran-7-yl)methanamine
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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of 6-fluoro-3,4-dihydro-1H-isochromen-4-amine (CID 130002674) is 6-fluoro-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for 6-fluoro-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for 6-fluoro-3,4-dihydro-1H-isochromen-4-amine is NC1COCc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is GTGSJGFTVSDABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-7-2-1-6-4-12-5-9(11)8(6)3-7/h1-3,9H,4-5,11H2.
What are the key properties of 6-fluoro-3,4-dihydro-1H-isochromen-4-amine?
6-fluoro-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 167.18 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 130002674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).