2-fluoro-2-methyl-3-phenylmethoxypropanal

C11H13FO2 — CID 14267601

IUPAC2-fluoro-2-methyl-3-phenylmethoxypropanal
SMILESCC(F)(C=O)COCc1ccccc1
InChIInChI=1S/C11H13FO2/c1-11(12,8-13)9-14-7-10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3
InChIKeyGBBYGZIJVJXKAZ-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.13
Rot. Bonds5

About 2-fluoro-2-methyl-3-phenylmethoxypropanal

2-fluoro-2-methyl-3-phenylmethoxypropanal (PubChem CID 14267601) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-fluoro-2-methyl-3-phenylmethoxypropanal.

Molecular Properties

Compound Name2-fluoro-2-methyl-3-phenylmethoxypropanal
PubChem CID14267601
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name2-fluoro-2-methyl-3-phenylmethoxypropanal
SMILESCC(F)(C=O)COCc1ccccc1
InChIInChI=1S/C11H13FO2/c1-11(12,8-13)9-14-7-10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3
InChIKeyGBBYGZIJVJXKAZ-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.13
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

2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802
2,2-difluorobut-3-enoxymethylbenzene
CID 170548757
2-amino-2-(ethoxymethyl)-3-phenylmethoxypropanal
CID 90754455
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
(2S)-3,3,3-trifluoro-2-methyl-2-phenylmethoxypropanal
CID 15852818
[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propoxy]methylbenzene
CID 139782867
2-fluoro-2-(phenylmethoxymethyl)propanedioic acid
CID 67878922
(2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol
CID 121002722
2-hydroxy-2-(phenylmethoxymethyl)-3-[4-(trifluoromethyl)phenyl]propanal
CID 170120976
(2R)-2-methyl-5-oxo-2-(phenylmethoxymethyl)heptanal
CID 10706614
3,3-dimethyl-4-phenylmethoxybutan-1-amine
CID 122238724
[2-ethenyl-2,4-diethyl-4-(phenylmethoxymethyl)hex-5-enoxy]methylbenzene
CID 11632573

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-3-phenylmethoxypropanal?
The IUPAC name of 2-fluoro-2-methyl-3-phenylmethoxypropanal (CID 14267601) is 2-fluoro-2-methyl-3-phenylmethoxypropanal.
What is the SMILES notation for 2-fluoro-2-methyl-3-phenylmethoxypropanal?
The canonical SMILES for 2-fluoro-2-methyl-3-phenylmethoxypropanal is CC(F)(C=O)COCc1ccccc1.
What is the InChIKey of 2-fluoro-2-methyl-3-phenylmethoxypropanal?
The InChIKey is GBBYGZIJVJXKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-11(12,8-13)9-14-7-10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3.
What are the key properties of 2-fluoro-2-methyl-3-phenylmethoxypropanal?
2-fluoro-2-methyl-3-phenylmethoxypropanal has a molecular weight of 196.22 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-3-phenylmethoxypropanal is sourced from PubChem (CID 14267601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).