6-butyl-6-fluoroundecane

C15H31F — CID 11424735

IUPAC6-butyl-6-fluoroundecane
SMILESCCCCCC(F)(CCCC)CCCCC
InChIInChI=1S/C15H31F/c1-4-7-10-13-15(16,12-9-6-3)14-11-8-5-2/h4-14H2,1-3H3
InChIKeyUBHAKPNHGIGWCF-UHFFFAOYSA-N
MW230.41 g/mol
LogP6.05
Rot. Bonds11

About 6-butyl-6-fluoroundecane

6-butyl-6-fluoroundecane (PubChem CID 11424735) has the molecular formula C15H31F and a molecular weight of 230.41 g/mol. Its IUPAC name is 6-butyl-6-fluoroundecane.

Molecular Properties

Compound Name6-butyl-6-fluoroundecane
PubChem CID11424735
Molecular FormulaC15H31F
Molecular Weight230.41 g/mol
Exact Mass230.24
IUPAC Name6-butyl-6-fluoroundecane
SMILESCCCCCC(F)(CCCC)CCCCC
InChIInChI=1S/C15H31F/c1-4-7-10-13-15(16,12-9-6-3)14-11-8-5-2/h4-14H2,1-3H3
InChIKeyUBHAKPNHGIGWCF-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.41
LogP ≤ 56.05
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

1,1,1-trifluorohexadecane
CID 15685316
2-ethyl-2-fluorodecan-1-ol
CID 87200056
2-butyl-2-fluoropropane-1,3-diamine;dihydrochloride
CID 122239512
5,5-difluorononane
CID 21410163
(3-butyl-3-fluoroheptyl)-trimethoxysilane
CID 58825593
3-fluoro-3-pentyloctanoic acid
CID 177137952
1,1-dibromo-1-fluorohexane
CID 139643028
1,1-difluorohexylarsane
CID 173206218
7-butyl-7-ethyltetradecane
CID 174665936
3,3-difluorooctane
CID 54258569
10,10-dibutylicosane
CID 151498539
iron(3+);1,1,1-trifluoropentane
CID 161198772

Frequently Asked Questions

What is the IUPAC name of 6-butyl-6-fluoroundecane?
The IUPAC name of 6-butyl-6-fluoroundecane (CID 11424735) is 6-butyl-6-fluoroundecane.
What is the SMILES notation for 6-butyl-6-fluoroundecane?
The canonical SMILES for 6-butyl-6-fluoroundecane is CCCCCC(F)(CCCC)CCCCC.
What is the InChIKey of 6-butyl-6-fluoroundecane?
The InChIKey is UBHAKPNHGIGWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31F/c1-4-7-10-13-15(16,12-9-6-3)14-11-8-5-2/h4-14H2,1-3H3.
What are the key properties of 6-butyl-6-fluoroundecane?
6-butyl-6-fluoroundecane has a molecular weight of 230.41 g/mol, XLogP of 6.05, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-6-fluoroundecane is sourced from PubChem (CID 11424735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).