1-fluoro-3-propan-2-yloxypropane

C6H13FO — CID 59139268

IUPAC1-fluoro-3-propan-2-yloxypropane
SMILESCC(C)OCCCF
InChIInChI=1S/C6H13FO/c1-6(2)8-5-3-4-7/h6H,3-5H2,1-2H3
InChIKeyIYTWMLXTXNXYGC-UHFFFAOYSA-N
MW120.17 g/mol
LogP1.77
Rot. Bonds4

About 1-fluoro-3-propan-2-yloxypropane

1-fluoro-3-propan-2-yloxypropane (PubChem CID 59139268) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is 1-fluoro-3-propan-2-yloxypropane.

Molecular Properties

Compound Name1-fluoro-3-propan-2-yloxypropane
PubChem CID59139268
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name1-fluoro-3-propan-2-yloxypropane
SMILESCC(C)OCCCF
InChIInChI=1S/C6H13FO/c1-6(2)8-5-3-4-7/h6H,3-5H2,1-2H3
InChIKeyIYTWMLXTXNXYGC-UHFFFAOYSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-fluoro-3-propan-2-yloxypropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-propan-2-yloxypropane?
The IUPAC name of 1-fluoro-3-propan-2-yloxypropane (CID 59139268) is 1-fluoro-3-propan-2-yloxypropane.
What is the SMILES notation for 1-fluoro-3-propan-2-yloxypropane?
The canonical SMILES for 1-fluoro-3-propan-2-yloxypropane is CC(C)OCCCF.
What is the InChIKey of 1-fluoro-3-propan-2-yloxypropane?
The InChIKey is IYTWMLXTXNXYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO/c1-6(2)8-5-3-4-7/h6H,3-5H2,1-2H3.
What are the key properties of 1-fluoro-3-propan-2-yloxypropane?
1-fluoro-3-propan-2-yloxypropane has a molecular weight of 120.17 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-propan-2-yloxypropane is sourced from PubChem (CID 59139268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).