fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde;methane;2-methylhexane-1,6-diol;molecular hydrogen

C15H31FO5 — CID 159302687

IUPACfluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde;methane;2-methylhexane-1,6-diol;molecular hydrogen
SMILESC.CC(CO)CCCCO.CF.O=Cc1ccc(CO)o1.[H][H]
InChIInChI=1S/C7H16O2.C6H6O3.CH3F.CH4.H2/c1-7(6-9)4-2-3-5-8;7-3-5-1-2-6(4-8)9-5;1-2;;/h7-9H,2-6H2,1H3;1-3,8H,4H2;1H3;1H4;1H
InChIKeyLBNMEXSUQCCKDA-UHFFFAOYSA-N
MW310.41 g/mol
LogP2.83
Rot. Bonds7

About fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde;methane;2-methylhexane-1,6-diol;molecular hydrogen

fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde;methane;2-methylhexane-1,6-diol;molecular hydrogen (PubChem CID 159302687) has the molecular formula C15H31FO5 and a molecular weight of 310.41 g/mol. Its IUPAC name is fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde;methane;2-methylhexane-1,6-diol;molecular hydrogen.

Molecular Properties

Compound Namefluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde;methane;2-methylhexane-1,6-diol;molecular hydrogen
PubChem CID159302687
Molecular FormulaC15H31FO5
Molecular Weight310.41 g/mol
Exact Mass310.22
IUPAC Namefluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde;methane;2-methylhexane-1,6-diol;molecular hydrogen
SMILESC.CC(CO)CCCCO.CF.O=Cc1ccc(CO)o1.[H][H]
InChIInChI=1S/C7H16O2.C6H6O3.CH3F.CH4.H2/c1-7(6-9)4-2-3-5-8;7-3-5-1-2-6(4-8)9-5;1-2;;/h7-9H,2-6H2,1H3;1-3,8H,4H2;1H3;1H4;1H
InChIKeyLBNMEXSUQCCKDA-UHFFFAOYSA-N
XLogP2.83
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(Hydroxymethyl)furfural
CID 237332
5-Hydroxymethyl-2-furoic acid
CID 80642
5-Methylfurfuryl alcohol
CID 520911
2,5-Furandimethanol
CID 74663
5-(Methoxymethyl)-2-furaldehyde
CID 74711
2-(1-Hydroxypropyl)furan
CID 33640
5-Acetoxymethyl-2-furaldehyde
CID 66349
1-(2-Furyl)ethanol
CID 107243
5-Formyl-2-furancarboxylic Acid
CID 2793719
[5-(Ethoxymethyl)furan-2-yl]methanol
CID 13793775
Methyl 5-(hydroxymethyl) furan-2-carboxylate
CID 12733589
Acetyl Sumiki's acid
CID 10330015

Frequently Asked Questions

What is the IUPAC name of fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde;methane;2-methylhexane-1,6-diol;molecular hydrogen?
The IUPAC name of fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde;methane;2-methylhexane-1,6-diol;molecular hydrogen (CID 159302687) is fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde;methane;2-methylhexane-1,6-diol;molecular hydrogen.
What is the SMILES notation for fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde;methane;2-methylhexane-1,6-diol;molecular hydrogen?
The canonical SMILES for fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde;methane;2-methylhexane-1,6-diol;molecular hydrogen is C.CC(CO)CCCCO.CF.O=Cc1ccc(CO)o1.[H][H].
What is the InChIKey of fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde;methane;2-methylhexane-1,6-diol;molecular hydrogen?
The InChIKey is LBNMEXSUQCCKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2.C6H6O3.CH3F.CH4.H2/c1-7(6-9)4-2-3-5-8;7-3-5-1-2-6(4-8)9-5;1-2;;/h7-9H,2-6H2,1H3;1-3,8H,4H2;1H3;1H4;1H.
What are the key properties of fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde;methane;2-methylhexane-1,6-diol;molecular hydrogen?
fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde;methane;2-methylhexane-1,6-diol;molecular hydrogen has a molecular weight of 310.41 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde;methane;2-methylhexane-1,6-diol;molecular hydrogen is sourced from PubChem (CID 159302687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).