12-fluorododecanal

C12H23FO — CID 24837741

IUPAC12-fluorododecanal
SMILESO=CCCCCCCCCCCCF
InChIInChI=1S/C12H23FO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h12H,1-11H2
InChIKeyCVYMNVBCBNTEOQ-UHFFFAOYSA-N
MW202.31 g/mol
LogP4.06
Rot. Bonds11

About 12-fluorododecanal

12-fluorododecanal (PubChem CID 24837741) has the molecular formula C12H23FO and a molecular weight of 202.31 g/mol. Its IUPAC name is 12-fluorododecanal.

Molecular Properties

Compound Name12-fluorododecanal
PubChem CID24837741
Molecular FormulaC12H23FO
Molecular Weight202.31 g/mol
Exact Mass202.17
IUPAC Name12-fluorododecanal
SMILESO=CCCCCCCCCCCCF
InChIInChI=1S/C12H23FO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h12H,1-11H2
InChIKeyCVYMNVBCBNTEOQ-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.31
LogP ≤ 54.06
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'}

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Related Compounds

6-fluorohexanal
CID 9769
pentadecanedial
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3-fluoropropanal;3-fluoropropan-1-ol
CID 158105072
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CID 134210784
25-hydroxypentacosanal
CID 90897330
henicos-20-enal
CID 14559831
9-silylnonanal
CID 123563301
decanal;decane
CID 157361056
13-oxotridecylazanium bromide
CID 177225958
34-hydroxytetratriacontanal
CID 123873694
10-silyldecanal
CID 123679175
tridec-12-enal
CID 57284057

Frequently Asked Questions

What is the IUPAC name of 12-fluorododecanal?
The IUPAC name of 12-fluorododecanal (CID 24837741) is 12-fluorododecanal.
What is the SMILES notation for 12-fluorododecanal?
The canonical SMILES for 12-fluorododecanal is O=CCCCCCCCCCCCF.
What is the InChIKey of 12-fluorododecanal?
The InChIKey is CVYMNVBCBNTEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h12H,1-11H2.
What are the key properties of 12-fluorododecanal?
12-fluorododecanal has a molecular weight of 202.31 g/mol, XLogP of 4.06, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-fluorododecanal is sourced from PubChem (CID 24837741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).