3-fluoro-4-methyl-1-propan-2-yloxypentane

C9H19FO — CID 177039292

IUPAC3-fluoro-4-methyl-1-propan-2-yloxypentane
SMILESCC(C)OCCC(F)C(C)C
InChIInChI=1S/C9H19FO/c1-7(2)9(10)5-6-11-8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyQSSPCGOEWBBAGP-UHFFFAOYSA-N
MW162.25 g/mol
LogP2.80
Rot. Bonds5

About 3-fluoro-4-methyl-1-propan-2-yloxypentane

3-fluoro-4-methyl-1-propan-2-yloxypentane (PubChem CID 177039292) has the molecular formula C9H19FO and a molecular weight of 162.25 g/mol. Its IUPAC name is 3-fluoro-4-methyl-1-propan-2-yloxypentane.

Molecular Properties

Compound Name3-fluoro-4-methyl-1-propan-2-yloxypentane
PubChem CID177039292
Molecular FormulaC9H19FO
Molecular Weight162.25 g/mol
Exact Mass162.14
IUPAC Name3-fluoro-4-methyl-1-propan-2-yloxypentane
SMILESCC(C)OCCC(F)C(C)C
InChIInChI=1S/C9H19FO/c1-7(2)9(10)5-6-11-8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyQSSPCGOEWBBAGP-UHFFFAOYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-1-propan-2-yloxypentane?
The IUPAC name of 3-fluoro-4-methyl-1-propan-2-yloxypentane (CID 177039292) is 3-fluoro-4-methyl-1-propan-2-yloxypentane.
What is the SMILES notation for 3-fluoro-4-methyl-1-propan-2-yloxypentane?
The canonical SMILES for 3-fluoro-4-methyl-1-propan-2-yloxypentane is CC(C)OCCC(F)C(C)C.
What is the InChIKey of 3-fluoro-4-methyl-1-propan-2-yloxypentane?
The InChIKey is QSSPCGOEWBBAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FO/c1-7(2)9(10)5-6-11-8(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 3-fluoro-4-methyl-1-propan-2-yloxypentane?
3-fluoro-4-methyl-1-propan-2-yloxypentane has a molecular weight of 162.25 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-1-propan-2-yloxypentane is sourced from PubChem (CID 177039292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).