7-fluoro-3-methyl-2,4-dihydrochromen-3-amine

C10H12FNO — CID 84718496

IUPAC7-fluoro-3-methyl-2,4-dihydrochromen-3-amine
SMILESCC1(N)COc2cc(F)ccc2C1
InChIInChI=1S/C10H12FNO/c1-10(12)5-7-2-3-8(11)4-9(7)13-6-10/h2-4H,5-6,12H2,1H3
InChIKeyPLFVSDKINWSAQX-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.48
Rot. Bonds

About 7-fluoro-3-methyl-2,4-dihydrochromen-3-amine

7-fluoro-3-methyl-2,4-dihydrochromen-3-amine (PubChem CID 84718496) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 7-fluoro-3-methyl-2,4-dihydrochromen-3-amine.

Molecular Properties

Compound Name7-fluoro-3-methyl-2,4-dihydrochromen-3-amine
PubChem CID84718496
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name7-fluoro-3-methyl-2,4-dihydrochromen-3-amine
SMILESCC1(N)COc2cc(F)ccc2C1
InChIInChI=1S/C10H12FNO/c1-10(12)5-7-2-3-8(11)4-9(7)13-6-10/h2-4H,5-6,12H2,1H3
InChIKeyPLFVSDKINWSAQX-UHFFFAOYSA-N
XLogP1.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-2,4-dihydrochromen-3-amine?
The IUPAC name of 7-fluoro-3-methyl-2,4-dihydrochromen-3-amine (CID 84718496) is 7-fluoro-3-methyl-2,4-dihydrochromen-3-amine.
What is the SMILES notation for 7-fluoro-3-methyl-2,4-dihydrochromen-3-amine?
The canonical SMILES for 7-fluoro-3-methyl-2,4-dihydrochromen-3-amine is CC1(N)COc2cc(F)ccc2C1.
What is the InChIKey of 7-fluoro-3-methyl-2,4-dihydrochromen-3-amine?
The InChIKey is PLFVSDKINWSAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-10(12)5-7-2-3-8(11)4-9(7)13-6-10/h2-4H,5-6,12H2,1H3.
What are the key properties of 7-fluoro-3-methyl-2,4-dihydrochromen-3-amine?
7-fluoro-3-methyl-2,4-dihydrochromen-3-amine has a molecular weight of 181.21 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-2,4-dihydrochromen-3-amine is sourced from PubChem (CID 84718496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).