8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde

C12H12F2O2 — CID 174634370

IUPAC8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde
SMILESCC1(CF)CC(C=O)c2cccc(F)c2O1
InChIInChI=1S/C12H12F2O2/c1-12(7-13)5-8(6-15)9-3-2-4-10(14)11(9)16-12/h2-4,6,8H,5,7H2,1H3
InChIKeyZCSYXEYVJGBCTL-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.62
Rot. Bonds2

About 8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde

8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde (PubChem CID 174634370) has the molecular formula C12H12F2O2 and a molecular weight of 226.22 g/mol. Its IUPAC name is 8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde.

Molecular Properties

Compound Name8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde
PubChem CID174634370
Molecular FormulaC12H12F2O2
Molecular Weight226.22 g/mol
Exact Mass226.08
IUPAC Name8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde
SMILESCC1(CF)CC(C=O)c2cccc(F)c2O1
InChIInChI=1S/C12H12F2O2/c1-12(7-13)5-8(6-15)9-3-2-4-10(14)11(9)16-12/h2-4,6,8H,5,7H2,1H3
InChIKeyZCSYXEYVJGBCTL-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 68594553
8-fluoro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-ol
CID 68595983
(4R)-8-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine
CID 68595565
6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
CID 75481471
(3R)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran
CID 58765412
(3S)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran;sulfane
CID 162071384
(6S)-3-fluoro-3-(fluoromethyl)-6-(2-fluorophenyl)-6-methylpiperidine-2-carbaldehyde
CID 174890713
(2S,4aS,10bS)-7-fluoro-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene
CID 110145797
10-(2-ethoxyethyl)-6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
CID 167777888
7-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511838
1-[(8-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]cyclopropan-1-amine
CID 83910538
2-[(4S,5R)-2,2-diethyl-4-(2-fluorophenyl)-1,3-dioxan-5-yl]acetaldehyde
CID 18601480

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde?
The IUPAC name of 8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde (CID 174634370) is 8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde.
What is the SMILES notation for 8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde?
The canonical SMILES for 8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde is CC1(CF)CC(C=O)c2cccc(F)c2O1.
What is the InChIKey of 8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde?
The InChIKey is ZCSYXEYVJGBCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O2/c1-12(7-13)5-8(6-15)9-3-2-4-10(14)11(9)16-12/h2-4,6,8H,5,7H2,1H3.
What are the key properties of 8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde?
8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde has a molecular weight of 226.22 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde is sourced from PubChem (CID 174634370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).