1-fluoro-1-methyl-3-propan-2-ylcyclopentane

C9H17F — CID 118410768

IUPAC1-fluoro-1-methyl-3-propan-2-ylcyclopentane
SMILESCC(C)C1CCC(C)(F)C1
InChIInChI=1S/C9H17F/c1-7(2)8-4-5-9(3,10)6-8/h7-8H,4-6H2,1-3H3
InChIKeyDRWQYGJPYXCHLF-UHFFFAOYSA-N
MW144.23 g/mol
LogP3.17
Rot. Bonds1

About 1-fluoro-1-methyl-3-propan-2-ylcyclopentane

1-fluoro-1-methyl-3-propan-2-ylcyclopentane (PubChem CID 118410768) has the molecular formula C9H17F and a molecular weight of 144.23 g/mol. Its IUPAC name is 1-fluoro-1-methyl-3-propan-2-ylcyclopentane.

Molecular Properties

Compound Name1-fluoro-1-methyl-3-propan-2-ylcyclopentane
PubChem CID118410768
Molecular FormulaC9H17F
Molecular Weight144.23 g/mol
Exact Mass144.13
IUPAC Name1-fluoro-1-methyl-3-propan-2-ylcyclopentane
SMILESCC(C)C1CCC(C)(F)C1
InChIInChI=1S/C9H17F/c1-7(2)8-4-5-9(3,10)6-8/h7-8H,4-6H2,1-3H3
InChIKeyDRWQYGJPYXCHLF-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.23
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-methyl-3-propan-2-ylcyclopentane?
The IUPAC name of 1-fluoro-1-methyl-3-propan-2-ylcyclopentane (CID 118410768) is 1-fluoro-1-methyl-3-propan-2-ylcyclopentane.
What is the SMILES notation for 1-fluoro-1-methyl-3-propan-2-ylcyclopentane?
The canonical SMILES for 1-fluoro-1-methyl-3-propan-2-ylcyclopentane is CC(C)C1CCC(C)(F)C1.
What is the InChIKey of 1-fluoro-1-methyl-3-propan-2-ylcyclopentane?
The InChIKey is DRWQYGJPYXCHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F/c1-7(2)8-4-5-9(3,10)6-8/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-fluoro-1-methyl-3-propan-2-ylcyclopentane?
1-fluoro-1-methyl-3-propan-2-ylcyclopentane has a molecular weight of 144.23 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-methyl-3-propan-2-ylcyclopentane is sourced from PubChem (CID 118410768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).