bicyclo[2.2.1]heptane;2-fluoroacetaldehyde

C9H15FO — CID 45123092

IUPACbicyclo[2.2.1]heptane;2-fluoroacetaldehyde
SMILESC1CC2CCC1C2.O=CCF
InChIInChI=1S/C7H12.C2H3FO/c1-2-7-4-3-6(1)5-7;3-1-2-4/h6-7H,1-5H2;2H,1H2
InChIKeyKXFFIPXVEQYDQP-UHFFFAOYSA-N
MW158.22 g/mol
LogP2.35
Rot. Bonds1

About bicyclo[2.2.1]heptane;2-fluoroacetaldehyde

bicyclo[2.2.1]heptane;2-fluoroacetaldehyde (PubChem CID 45123092) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane;2-fluoroacetaldehyde.

Molecular Properties

Compound Namebicyclo[2.2.1]heptane;2-fluoroacetaldehyde
PubChem CID45123092
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Namebicyclo[2.2.1]heptane;2-fluoroacetaldehyde
SMILESC1CC2CCC1C2.O=CCF
InChIInChI=1S/C7H12.C2H3FO/c1-2-7-4-3-6(1)5-7;3-1-2-4/h6-7H,1-5H2;2H,1H2
InChIKeyKXFFIPXVEQYDQP-UHFFFAOYSA-N
XLogP2.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
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

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CID 155693421
adamantane;2-bromoacetaldehyde
CID 175315145
potassium;bicyclo[2.2.1]heptane;hydride
CID 173241740
bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;bicyclo[1.1.1]pentane
CID 159708378
bicyclo[2.2.1]heptane;methanimine
CID 69055097
adamantane;bis(bicyclo[2.2.1]heptane);ethane;propane
CID 160698530
acetyl chloride;bicyclo[2.2.1]heptane
CID 157265989
bicyclo[2.2.1]heptane;cyclohexane;ethanamine
CID 159865221
bicyclo[2.2.1]heptane;heptane
CID 161465006
bicyclo[2.2.1]heptane;methanol;prop-2-enoic acid
CID 158917737
bicyclo[2.2.1]heptane;ethane;methoxymethane
CID 144913122
3-(2-adamantyl)propanal
CID 130025353

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptane;2-fluoroacetaldehyde?
The IUPAC name of bicyclo[2.2.1]heptane;2-fluoroacetaldehyde (CID 45123092) is bicyclo[2.2.1]heptane;2-fluoroacetaldehyde.
What is the SMILES notation for bicyclo[2.2.1]heptane;2-fluoroacetaldehyde?
The canonical SMILES for bicyclo[2.2.1]heptane;2-fluoroacetaldehyde is C1CC2CCC1C2.O=CCF.
What is the InChIKey of bicyclo[2.2.1]heptane;2-fluoroacetaldehyde?
The InChIKey is KXFFIPXVEQYDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C2H3FO/c1-2-7-4-3-6(1)5-7;3-1-2-4/h6-7H,1-5H2;2H,1H2.
What are the key properties of bicyclo[2.2.1]heptane;2-fluoroacetaldehyde?
bicyclo[2.2.1]heptane;2-fluoroacetaldehyde has a molecular weight of 158.22 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]heptane;2-fluoroacetaldehyde is sourced from PubChem (CID 45123092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).