7-(fluoromethyl)tetradecane

C15H31F — CID 155260324

IUPAC7-(fluoromethyl)tetradecane
SMILESCCCCCCCC(CF)CCCCCC
InChIInChI=1S/C15H31F/c1-3-5-7-9-11-13-15(14-16)12-10-8-6-4-2/h15H,3-14H2,1-2H3
InChIKeySUOKWTCLBUHEGI-UHFFFAOYSA-N
MW230.41 g/mol
LogP5.90
Rot. Bonds12

About 7-(fluoromethyl)tetradecane

7-(fluoromethyl)tetradecane (PubChem CID 155260324) has the molecular formula C15H31F and a molecular weight of 230.41 g/mol. Its IUPAC name is 7-(fluoromethyl)tetradecane.

Molecular Properties

Compound Name7-(fluoromethyl)tetradecane
PubChem CID155260324
Molecular FormulaC15H31F
Molecular Weight230.41 g/mol
Exact Mass230.24
IUPAC Name7-(fluoromethyl)tetradecane
SMILESCCCCCCCC(CF)CCCCCC
InChIInChI=1S/C15H31F/c1-3-5-7-9-11-13-15(14-16)12-10-8-6-4-2/h15H,3-14H2,1-2H3
InChIKeySUOKWTCLBUHEGI-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.41
LogP ≤ 55.90
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

3-(fluoromethyl)undecane
CID 11658419
2-(fluoromethyl)henicosan-1-amine
CID 175054402
13-pentylpentacosane
CID 91804884
17-pentadecyltritriacontane
CID 173257606
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
11-pentylheptacosane
CID 91575569
17-pentylhexatriacontane
CID 91327833

Frequently Asked Questions

What is the IUPAC name of 7-(fluoromethyl)tetradecane?
The IUPAC name of 7-(fluoromethyl)tetradecane (CID 155260324) is 7-(fluoromethyl)tetradecane.
What is the SMILES notation for 7-(fluoromethyl)tetradecane?
The canonical SMILES for 7-(fluoromethyl)tetradecane is CCCCCCCC(CF)CCCCCC.
What is the InChIKey of 7-(fluoromethyl)tetradecane?
The InChIKey is SUOKWTCLBUHEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31F/c1-3-5-7-9-11-13-15(14-16)12-10-8-6-4-2/h15H,3-14H2,1-2H3.
What are the key properties of 7-(fluoromethyl)tetradecane?
7-(fluoromethyl)tetradecane has a molecular weight of 230.41 g/mol, XLogP of 5.90, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(fluoromethyl)tetradecane is sourced from PubChem (CID 155260324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).