6-fluoro-3-methylidene-1,4-dihydroisochromene;methanamine

C11H14FNO — CID 142279436

IUPAC6-fluoro-3-methylidene-1,4-dihydroisochromene;methanamine
SMILESC=C1Cc2cc(F)ccc2CO1.CN
InChIInChI=1S/C10H9FO.CH5N/c1-7-4-9-5-10(11)3-2-8(9)6-12-7;1-2/h2-3,5H,1,4,6H2;2H2,1H3
InChIKeyDRHJIBUOKLOMMS-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.99
Rot. Bonds

About 6-fluoro-3-methylidene-1,4-dihydroisochromene;methanamine

6-fluoro-3-methylidene-1,4-dihydroisochromene;methanamine (PubChem CID 142279436) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 6-fluoro-3-methylidene-1,4-dihydroisochromene;methanamine.

Molecular Properties

Compound Name6-fluoro-3-methylidene-1,4-dihydroisochromene;methanamine
PubChem CID142279436
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name6-fluoro-3-methylidene-1,4-dihydroisochromene;methanamine
SMILESC=C1Cc2cc(F)ccc2CO1.CN
InChIInChI=1S/C10H9FO.CH5N/c1-7-4-9-5-10(11)3-2-8(9)6-12-7;1-2/h2-3,5H,1,4,6H2;2H2,1H3
InChIKeyDRHJIBUOKLOMMS-UHFFFAOYSA-N
XLogP1.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-6-fluoro-3-methyl-3,4-dihydro-1H-isochromen-4-amine
CID 134223128
5-fluoro-1-methyl-3H-2,1-benzoxazole
CID 175342122
2-(7-fluoro-1,5-dihydro-2,4-benzodioxepin-3-yl)ethanol
CID 115062761
(2R)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334375
(2S)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334377
7-fluoro-1,4-dihydro-3,1-benzoxazine-2-thione
CID 84768962
(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-amine
CID 51557186
5-fluoro-3,3-dimethyl-1H-2-benzofuran
CID 126553087
2-bromo-5-fluoro-2,3-dihydro-1H-indene
CID 130115402
ethane;6-fluoro-3-methyl-3,4-dihydro-2H-chromene
CID 143996502
3-(7-fluoro-3-methyl-1,5-dihydro-2,4-benzodioxepin-3-yl)pyrrolidine
CID 115062957
6-fluorospiro[1,2-dihydroindene-3,2'-oxirane]
CID 116532256

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methylidene-1,4-dihydroisochromene;methanamine?
The IUPAC name of 6-fluoro-3-methylidene-1,4-dihydroisochromene;methanamine (CID 142279436) is 6-fluoro-3-methylidene-1,4-dihydroisochromene;methanamine.
What is the SMILES notation for 6-fluoro-3-methylidene-1,4-dihydroisochromene;methanamine?
The canonical SMILES for 6-fluoro-3-methylidene-1,4-dihydroisochromene;methanamine is C=C1Cc2cc(F)ccc2CO1.CN.
What is the InChIKey of 6-fluoro-3-methylidene-1,4-dihydroisochromene;methanamine?
The InChIKey is DRHJIBUOKLOMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO.CH5N/c1-7-4-9-5-10(11)3-2-8(9)6-12-7;1-2/h2-3,5H,1,4,6H2;2H2,1H3.
What are the key properties of 6-fluoro-3-methylidene-1,4-dihydroisochromene;methanamine?
6-fluoro-3-methylidene-1,4-dihydroisochromene;methanamine has a molecular weight of 195.24 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methylidene-1,4-dihydroisochromene;methanamine is sourced from PubChem (CID 142279436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).