(2S,3R)-2-fluoro-3-methylheptanal

C8H15FO — CID 130628488

IUPAC(2S,3R)-2-fluoro-3-methylheptanal
SMILESCCCC[C@@H](C)[C@H](F)C=O
InChIInChI=1S/C8H15FO/c1-3-4-5-7(2)8(9)6-10/h6-8H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyVJEKXOVEDVROGS-HTQZYQBOSA-N
MW146.21 g/mol
LogP2.35
Rot. Bonds5

About (2S,3R)-2-fluoro-3-methylheptanal

(2S,3R)-2-fluoro-3-methylheptanal (PubChem CID 130628488) has the molecular formula C8H15FO and a molecular weight of 146.21 g/mol. Its IUPAC name is (2S,3R)-2-fluoro-3-methylheptanal.

Molecular Properties

Compound Name(2S,3R)-2-fluoro-3-methylheptanal
PubChem CID130628488
Molecular FormulaC8H15FO
Molecular Weight146.21 g/mol
Exact Mass146.11
IUPAC Name(2S,3R)-2-fluoro-3-methylheptanal
SMILESCCCC[C@@H](C)[C@H](F)C=O
InChIInChI=1S/C8H15FO/c1-3-4-5-7(2)8(9)6-10/h6-8H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyVJEKXOVEDVROGS-HTQZYQBOSA-N
XLogP2.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-6-methyldecane
CID 123598559
4-fluoro-3-methyloctane
CID 89416555
(2S)-2-fluorohexadecanal
CID 134857256
magnesium;hydride;2-methylhexanal
CID 175489752
5,6,14,15-tetramethylnonadecane
CID 123473711
2-[(1S)-1-hydroxy-2-methylpropyl]hexanal
CID 91360122
(2S,3R)-2-fluoro-3-methylheptan-1-ol
CID 130653054
(3R)-2,3-dimethylheptane;ethane
CID 163241846
alumane;2,3-dimethylheptane
CID 174508099
2,3-dimethylheptane;ethane
CID 156648444
cyclohexane;2-methylhexane;2-methylpropanal
CID 160719053
3-butan-2-yl-2-methyldecanal
CID 123267635

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-fluoro-3-methylheptanal?
The IUPAC name of (2S,3R)-2-fluoro-3-methylheptanal (CID 130628488) is (2S,3R)-2-fluoro-3-methylheptanal.
What is the SMILES notation for (2S,3R)-2-fluoro-3-methylheptanal?
The canonical SMILES for (2S,3R)-2-fluoro-3-methylheptanal is CCCC[C@@H](C)[C@H](F)C=O.
What is the InChIKey of (2S,3R)-2-fluoro-3-methylheptanal?
The InChIKey is VJEKXOVEDVROGS-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H15FO/c1-3-4-5-7(2)8(9)6-10/h6-8H,3-5H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (2S,3R)-2-fluoro-3-methylheptanal?
(2S,3R)-2-fluoro-3-methylheptanal has a molecular weight of 146.21 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-fluoro-3-methylheptanal is sourced from PubChem (CID 130628488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).