2-fluoro-3-(oxan-2-yl)propanal

C8H13FO2 — CID 105431408

IUPAC2-fluoro-3-(oxan-2-yl)propanal
SMILESO=CC(F)CC1CCCCO1
InChIInChI=1S/C8H13FO2/c9-7(6-10)5-8-3-1-2-4-11-8/h6-8H,1-5H2
InChIKeyFYKHMFHAWKVGGC-UHFFFAOYSA-N
MW160.19 g/mol
LogP1.48
Rot. Bonds3

About 2-fluoro-3-(oxan-2-yl)propanal

2-fluoro-3-(oxan-2-yl)propanal (PubChem CID 105431408) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is 2-fluoro-3-(oxan-2-yl)propanal.

Molecular Properties

Compound Name2-fluoro-3-(oxan-2-yl)propanal
PubChem CID105431408
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name2-fluoro-3-(oxan-2-yl)propanal
SMILESO=CC(F)CC1CCCCO1
InChIInChI=1S/C8H13FO2/c9-7(6-10)5-8-3-1-2-4-11-8/h6-8H,1-5H2
InChIKeyFYKHMFHAWKVGGC-UHFFFAOYSA-N
XLogP1.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.48
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-(3-bromo-2-fluoropropyl)oxane
CID 122239838
3-fluoro-4-(oxan-2-yl)butan-2-one
CID 105435805
(2R)-2-(2-methylpropyl)oxane
CID 58653197
2-(2,3-dimethylbutyl)oxane
CID 167069415
1,1,1-trifluoro-3-(oxan-2-yl)propan-2-ol
CID 131515753
(2R)-2-amino-3-[(2R)-oxan-2-yl]propan-1-ol;hydrochloride
CID 176655691
(2S)-2-(fluoromethyl)oxane
CID 126712338
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
(2R)-2-amino-3-(oxan-2-yl)propanoic acid
CID 106702780
5-(oxepan-2-yl)pentanal
CID 57144478
(2S)-2-fluoro-3-[(2R)-oxolan-2-yl]propan-1-amine
CID 129462699
2-(oxan-2-ylmethyl)oxane
CID 67860654

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(oxan-2-yl)propanal?
The IUPAC name of 2-fluoro-3-(oxan-2-yl)propanal (CID 105431408) is 2-fluoro-3-(oxan-2-yl)propanal.
What is the SMILES notation for 2-fluoro-3-(oxan-2-yl)propanal?
The canonical SMILES for 2-fluoro-3-(oxan-2-yl)propanal is O=CC(F)CC1CCCCO1.
What is the InChIKey of 2-fluoro-3-(oxan-2-yl)propanal?
The InChIKey is FYKHMFHAWKVGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c9-7(6-10)5-8-3-1-2-4-11-8/h6-8H,1-5H2.
What are the key properties of 2-fluoro-3-(oxan-2-yl)propanal?
2-fluoro-3-(oxan-2-yl)propanal has a molecular weight of 160.19 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(oxan-2-yl)propanal is sourced from PubChem (CID 105431408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).