1-(1-fluoroethoxy)tridecane

C15H31FO — CID 175410550

IUPAC1-(1-fluoroethoxy)tridecane
SMILESCCCCCCCCCCCCCOC(C)F
InChIInChI=1S/C15H31FO/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h15H,3-14H2,1-2H3
InChIKeyVQLATUWXGJOECY-UHFFFAOYSA-N
MW246.41 g/mol
LogP5.63
Rot. Bonds13

About 1-(1-fluoroethoxy)tridecane

1-(1-fluoroethoxy)tridecane (PubChem CID 175410550) has the molecular formula C15H31FO and a molecular weight of 246.41 g/mol. Its IUPAC name is 1-(1-fluoroethoxy)tridecane.

Molecular Properties

Compound Name1-(1-fluoroethoxy)tridecane
PubChem CID175410550
Molecular FormulaC15H31FO
Molecular Weight246.41 g/mol
Exact Mass246.24
IUPAC Name1-(1-fluoroethoxy)tridecane
SMILESCCCCCCCCCCCCCOC(C)F
InChIInChI=1S/C15H31FO/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h15H,3-14H2,1-2H3
InChIKeyVQLATUWXGJOECY-UHFFFAOYSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.41
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(difluoromethoxy)decane
CID 14400535
1-(1-fluorobutoxy)heptane
CID 87417089
1-(1,2,2,2-tetrafluoroethoxy)hexane
CID 152744649
1-heptacontoxyethanol
CID 169098461
1-(4-propan-2-yloxybutoxy)tetradecane
CID 167327232
1-hexan-2-yloxydecane
CID 57029724
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
1-decoxy-N-(1-decoxyethyl)ethanamine
CID 173191939
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
3-dodecoxy-1,1,2-trifluorobutan-1-ol
CID 88524929

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethoxy)tridecane?
The IUPAC name of 1-(1-fluoroethoxy)tridecane (CID 175410550) is 1-(1-fluoroethoxy)tridecane.
What is the SMILES notation for 1-(1-fluoroethoxy)tridecane?
The canonical SMILES for 1-(1-fluoroethoxy)tridecane is CCCCCCCCCCCCCOC(C)F.
What is the InChIKey of 1-(1-fluoroethoxy)tridecane?
The InChIKey is VQLATUWXGJOECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31FO/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h15H,3-14H2,1-2H3.
What are the key properties of 1-(1-fluoroethoxy)tridecane?
1-(1-fluoroethoxy)tridecane has a molecular weight of 246.41 g/mol, XLogP of 5.63, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethoxy)tridecane is sourced from PubChem (CID 175410550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).