7-(3-fluoropropoxy)-7-methyltetradecane

C18H37FO — CID 129276986

IUPAC7-(3-fluoropropoxy)-7-methyltetradecane
SMILESCCCCCCCC(C)(CCCCCC)OCCCF
InChIInChI=1S/C18H37FO/c1-4-6-8-10-12-15-18(3,20-17-13-16-19)14-11-9-7-5-2/h4-17H2,1-3H3
InChIKeyXRIKZQYAAWTGOS-UHFFFAOYSA-N
MW288.49 g/mol
LogP6.45
Rot. Bonds15

About 7-(3-fluoropropoxy)-7-methyltetradecane

7-(3-fluoropropoxy)-7-methyltetradecane (PubChem CID 129276986) has the molecular formula C18H37FO and a molecular weight of 288.49 g/mol. Its IUPAC name is 7-(3-fluoropropoxy)-7-methyltetradecane.

Molecular Properties

Compound Name7-(3-fluoropropoxy)-7-methyltetradecane
PubChem CID129276986
Molecular FormulaC18H37FO
Molecular Weight288.49 g/mol
Exact Mass288.28
IUPAC Name7-(3-fluoropropoxy)-7-methyltetradecane
SMILESCCCCCCCC(C)(CCCCCC)OCCCF
InChIInChI=1S/C18H37FO/c1-4-6-8-10-12-15-18(3,20-17-13-16-19)14-11-9-7-5-2/h4-17H2,1-3H3
InChIKeyXRIKZQYAAWTGOS-UHFFFAOYSA-N
XLogP6.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.49
LogP ≤ 56.45
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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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoropropoxy)-7-methyltetradecane?
The IUPAC name of 7-(3-fluoropropoxy)-7-methyltetradecane (CID 129276986) is 7-(3-fluoropropoxy)-7-methyltetradecane.
What is the SMILES notation for 7-(3-fluoropropoxy)-7-methyltetradecane?
The canonical SMILES for 7-(3-fluoropropoxy)-7-methyltetradecane is CCCCCCCC(C)(CCCCCC)OCCCF.
What is the InChIKey of 7-(3-fluoropropoxy)-7-methyltetradecane?
The InChIKey is XRIKZQYAAWTGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37FO/c1-4-6-8-10-12-15-18(3,20-17-13-16-19)14-11-9-7-5-2/h4-17H2,1-3H3.
What are the key properties of 7-(3-fluoropropoxy)-7-methyltetradecane?
7-(3-fluoropropoxy)-7-methyltetradecane has a molecular weight of 288.49 g/mol, XLogP of 6.45, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoropropoxy)-7-methyltetradecane is sourced from PubChem (CID 129276986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).