2-(4-fluorobutoxy)tetradec-1-ene

C18H35FO — CID 141244572

IUPAC2-(4-fluorobutoxy)tetradec-1-ene
SMILESC=C(CCCCCCCCCCCC)OCCCCF
InChIInChI=1S/C18H35FO/c1-3-4-5-6-7-8-9-10-11-12-15-18(2)20-17-14-13-16-19/h2-17H2,1H3
InChIKeyDLLVXDZUTIVSQZ-UHFFFAOYSA-N
MW286.48 g/mol
LogP6.58
Rot. Bonds16

About 2-(4-fluorobutoxy)tetradec-1-ene

2-(4-fluorobutoxy)tetradec-1-ene (PubChem CID 141244572) has the molecular formula C18H35FO and a molecular weight of 286.48 g/mol. Its IUPAC name is 2-(4-fluorobutoxy)tetradec-1-ene.

Molecular Properties

Compound Name2-(4-fluorobutoxy)tetradec-1-ene
PubChem CID141244572
Molecular FormulaC18H35FO
Molecular Weight286.48 g/mol
Exact Mass286.27
IUPAC Name2-(4-fluorobutoxy)tetradec-1-ene
SMILESC=C(CCCCCCCCCCCC)OCCCCF
InChIInChI=1S/C18H35FO/c1-3-4-5-6-7-8-9-10-11-12-15-18(2)20-17-14-13-16-19/h2-17H2,1H3
InChIKeyDLLVXDZUTIVSQZ-UHFFFAOYSA-N
XLogP6.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.48
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-1,2-difluoro-9-[(2-methylpropan-2-yl)oxy]non-1-ene
CID 134894285
2-Ethoxynon-1-ene
CID 12385679
Epoxy-eicosene
CID 20465854
Lauryl hexaoxyethylene
CID 21407036
Isopropenyl octadecyl ether
CID 22407739
2-Methylidene-oxacyclotridecane
CID 85608247
Epoxynonadecene
CID 91445376
n-Octyl-pentaoxyethylene
CID 129682506
n-Dodecyl nonaoxyethylene
CID 129694971
n-Decyl-pentaoxyethylene
CID 129694975
7-Fluoro-7-hex-5-enoxytrideca-1,12-diene
CID 122631409
(10Z)-2-(5-fluoropentoxy)nonadeca-1,10-diene
CID 134404884

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobutoxy)tetradec-1-ene?
The IUPAC name of 2-(4-fluorobutoxy)tetradec-1-ene (CID 141244572) is 2-(4-fluorobutoxy)tetradec-1-ene.
What is the SMILES notation for 2-(4-fluorobutoxy)tetradec-1-ene?
The canonical SMILES for 2-(4-fluorobutoxy)tetradec-1-ene is C=C(CCCCCCCCCCCC)OCCCCF.
What is the InChIKey of 2-(4-fluorobutoxy)tetradec-1-ene?
The InChIKey is DLLVXDZUTIVSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35FO/c1-3-4-5-6-7-8-9-10-11-12-15-18(2)20-17-14-13-16-19/h2-17H2,1H3.
What are the key properties of 2-(4-fluorobutoxy)tetradec-1-ene?
2-(4-fluorobutoxy)tetradec-1-ene has a molecular weight of 286.48 g/mol, XLogP of 6.58, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobutoxy)tetradec-1-ene is sourced from PubChem (CID 141244572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).