3-fluoro-4-methyl-2-propan-2-yloxypent-1-ene

C9H17FO — CID 163762693

IUPAC3-fluoro-4-methyl-2-propan-2-yloxypent-1-ene
SMILESC=C(OC(C)C)C(F)C(C)C
InChIInChI=1S/C9H17FO/c1-6(2)9(10)8(5)11-7(3)4/h6-7,9H,5H2,1-4H3
InChIKeyLZONTBULJBDCMF-UHFFFAOYSA-N
MW160.23 g/mol
LogP2.92
Rot. Bonds4

About 3-fluoro-4-methyl-2-propan-2-yloxypent-1-ene

3-fluoro-4-methyl-2-propan-2-yloxypent-1-ene (PubChem CID 163762693) has the molecular formula C9H17FO and a molecular weight of 160.23 g/mol. Its IUPAC name is 3-fluoro-4-methyl-2-propan-2-yloxypent-1-ene.

Molecular Properties

Compound Name3-fluoro-4-methyl-2-propan-2-yloxypent-1-ene
PubChem CID163762693
Molecular FormulaC9H17FO
Molecular Weight160.23 g/mol
Exact Mass160.13
IUPAC Name3-fluoro-4-methyl-2-propan-2-yloxypent-1-ene
SMILESC=C(OC(C)C)C(F)C(C)C
InChIInChI=1S/C9H17FO/c1-6(2)9(10)8(5)11-7(3)4/h6-7,9H,5H2,1-4H3
InChIKeyLZONTBULJBDCMF-UHFFFAOYSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-fluoro-4-methyl-2-propan-2-yloxypent-1-ene 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 3-fluoro-4-methyl-2-propan-2-yloxypent-1-ene?
The IUPAC name of 3-fluoro-4-methyl-2-propan-2-yloxypent-1-ene (CID 163762693) is 3-fluoro-4-methyl-2-propan-2-yloxypent-1-ene.
What is the SMILES notation for 3-fluoro-4-methyl-2-propan-2-yloxypent-1-ene?
The canonical SMILES for 3-fluoro-4-methyl-2-propan-2-yloxypent-1-ene is C=C(OC(C)C)C(F)C(C)C.
What is the InChIKey of 3-fluoro-4-methyl-2-propan-2-yloxypent-1-ene?
The InChIKey is LZONTBULJBDCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO/c1-6(2)9(10)8(5)11-7(3)4/h6-7,9H,5H2,1-4H3.
What are the key properties of 3-fluoro-4-methyl-2-propan-2-yloxypent-1-ene?
3-fluoro-4-methyl-2-propan-2-yloxypent-1-ene has a molecular weight of 160.23 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-2-propan-2-yloxypent-1-ene is sourced from PubChem (CID 163762693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).