1-fluorotetradecane;2-methylpentane

C20H43F — CID 175589258

IUPAC1-fluorotetradecane;2-methylpentane
SMILESCCCC(C)C.CCCCCCCCCCCCCCF
InChIInChI=1S/C14H29F.C6H14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-4-5-6(2)3/h2-14H2,1H3;6H,4-5H2,1-3H3
InChIKeyAPDVKZSXVJIZNC-UHFFFAOYSA-N
MW302.56 g/mol
LogP8.10
Rot. Bonds14

About 1-fluorotetradecane;2-methylpentane

1-fluorotetradecane;2-methylpentane (PubChem CID 175589258) has the molecular formula C20H43F and a molecular weight of 302.56 g/mol. Its IUPAC name is 1-fluorotetradecane;2-methylpentane.

Molecular Properties

Compound Name1-fluorotetradecane;2-methylpentane
PubChem CID175589258
Molecular FormulaC20H43F
Molecular Weight302.56 g/mol
Exact Mass302.33
IUPAC Name1-fluorotetradecane;2-methylpentane
SMILESCCCC(C)C.CCCCCCCCCCCCCCF
InChIInChI=1S/C14H29F.C6H14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-4-5-6(2)3/h2-14H2,1H3;6H,4-5H2,1-3H3
InChIKeyAPDVKZSXVJIZNC-UHFFFAOYSA-N
XLogP8.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.56
LogP ≤ 58.10
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

hexane;2-methylpentane
CID 19835603
1-fluorododecane;hexane
CID 174651345
1-fluoroheptatriacontane
CID 54496561
1-fluoro-7-methylpentacosane
CID 88638363
azane;1-fluorododecane
CID 175529210
2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207
2-methyloctacosane
CID 519147
1-fluoropentane;hydrofluoride
CID 159001340
1-fluoropentane;methane
CID 160548083
2-methylpentane
CID 7892

Frequently Asked Questions

What is the IUPAC name of 1-fluorotetradecane;2-methylpentane?
The IUPAC name of 1-fluorotetradecane;2-methylpentane (CID 175589258) is 1-fluorotetradecane;2-methylpentane.
What is the SMILES notation for 1-fluorotetradecane;2-methylpentane?
The canonical SMILES for 1-fluorotetradecane;2-methylpentane is CCCC(C)C.CCCCCCCCCCCCCCF.
What is the InChIKey of 1-fluorotetradecane;2-methylpentane?
The InChIKey is APDVKZSXVJIZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F.C6H14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-4-5-6(2)3/h2-14H2,1H3;6H,4-5H2,1-3H3.
What are the key properties of 1-fluorotetradecane;2-methylpentane?
1-fluorotetradecane;2-methylpentane has a molecular weight of 302.56 g/mol, XLogP of 8.10, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorotetradecane;2-methylpentane is sourced from PubChem (CID 175589258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).