2-fluorooct-2-enal

C8H13FO — CID 130783642

IUPAC2-fluorooct-2-enal
SMILESCCCCCC=C(F)C=O
InChIInChI=1S/C8H13FO/c1-2-3-4-5-6-8(9)7-10/h6-7H,2-5H2,1H3
InChIKeyBNRMTTKAQGHEBA-UHFFFAOYSA-N
MW144.19 g/mol
LogP2.62
Rot. Bonds5

About 2-fluorooct-2-enal

2-fluorooct-2-enal (PubChem CID 130783642) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is 2-fluorooct-2-enal.

Molecular Properties

Compound Name2-fluorooct-2-enal
PubChem CID130783642
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name2-fluorooct-2-enal
SMILESCCCCCC=C(F)C=O
InChIInChI=1S/C8H13FO/c1-2-3-4-5-6-8(9)7-10/h6-7H,2-5H2,1H3
InChIKeyBNRMTTKAQGHEBA-UHFFFAOYSA-N
XLogP2.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-iodooct-2-enal
CID 74960497
(E)-1-chloro-1-fluorohept-1-ene
CID 173273597
2-octadecyldocos-2-enal
CID 54072385
2-hexylidenenonanal
CID 54074680
2-formyldec-2-enoic acid
CID 175590598
1-oxooct-2-ene-2-sulfonic acid
CID 54380521
(Z)-2-triethylsilylnon-2-enal
CID 11184384
(3E)-3-fluoro-2-methylnona-1,3-diene
CID 102212096
2-(2-chloroethyl)tricos-2-enal
CID 175199289
ethyl (Z)-2-fluorooct-2-enoate
CID 10867106
undec-1-ene-1,1-diol
CID 87556705
2-pentylideneoctanal
CID 57053473

Frequently Asked Questions

What is the IUPAC name of 2-fluorooct-2-enal?
The IUPAC name of 2-fluorooct-2-enal (CID 130783642) is 2-fluorooct-2-enal.
What is the SMILES notation for 2-fluorooct-2-enal?
The canonical SMILES for 2-fluorooct-2-enal is CCCCCC=C(F)C=O.
What is the InChIKey of 2-fluorooct-2-enal?
The InChIKey is BNRMTTKAQGHEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO/c1-2-3-4-5-6-8(9)7-10/h6-7H,2-5H2,1H3.
What are the key properties of 2-fluorooct-2-enal?
2-fluorooct-2-enal has a molecular weight of 144.19 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorooct-2-enal is sourced from PubChem (CID 130783642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).