2-fluorohenicosane

C21H43F — CID 91354486

IUPAC2-fluorohenicosane
SMILESCCCCCCCCCCCCCCCCCCCC(C)F
InChIInChI=1S/C21H43F/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22/h21H,3-20H2,1-2H3
InChIKeyMKKNCFJJYHGAHC-UHFFFAOYSA-N
MW314.57 g/mol
LogP8.39
Rot. Bonds18

About 2-fluorohenicosane

2-fluorohenicosane (PubChem CID 91354486) has the molecular formula C21H43F and a molecular weight of 314.57 g/mol. Its IUPAC name is 2-fluorohenicosane.

Molecular Properties

Compound Name2-fluorohenicosane
PubChem CID91354486
Molecular FormulaC21H43F
Molecular Weight314.57 g/mol
Exact Mass314.33
IUPAC Name2-fluorohenicosane
SMILESCCCCCCCCCCCCCCCCCCCC(C)F
InChIInChI=1S/C21H43F/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22/h21H,3-20H2,1-2H3
InChIKeyMKKNCFJJYHGAHC-UHFFFAOYSA-N
XLogP8.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.57
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,6-difluorooctadecane
CID 174393944
1-butoxy-15-fluorohexadecane;ethane
CID 144858393
1,3-difluoro-2-methyloctane
CID 134441598
1,6-difluoroheptane
CID 139983024
(7R)-7-methyltricosane
CID 162971691
2-methylpentaoctacontane
CID 90745672
6-methylheptacosane
CID 22223776
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
15-methylhexatriacontane
CID 86002594
2-methyldecane
CID 23415
10,16-dimethyldotriacontane
CID 91748795

Frequently Asked Questions

What is the IUPAC name of 2-fluorohenicosane?
The IUPAC name of 2-fluorohenicosane (CID 91354486) is 2-fluorohenicosane.
What is the SMILES notation for 2-fluorohenicosane?
The canonical SMILES for 2-fluorohenicosane is CCCCCCCCCCCCCCCCCCCC(C)F.
What is the InChIKey of 2-fluorohenicosane?
The InChIKey is MKKNCFJJYHGAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43F/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22/h21H,3-20H2,1-2H3.
What are the key properties of 2-fluorohenicosane?
2-fluorohenicosane has a molecular weight of 314.57 g/mol, XLogP of 8.39, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorohenicosane is sourced from PubChem (CID 91354486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).