4,4,4-trifluorobutylcyclopentane

C9H15F3 — CID 149313516

IUPAC4,4,4-trifluorobutylcyclopentane
SMILESFC(F)(F)CCCC1CCCC1
InChIInChI=1S/C9H15F3/c10-9(11,12)7-3-6-8-4-1-2-5-8/h8H,1-7H2
InChIKeyXZBKWCCWORDMEF-UHFFFAOYSA-N
MW180.21 g/mol
LogP3.91
Rot. Bonds3

About 4,4,4-trifluorobutylcyclopentane

4,4,4-trifluorobutylcyclopentane (PubChem CID 149313516) has the molecular formula C9H15F3 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4,4,4-trifluorobutylcyclopentane.

Molecular Properties

Compound Name4,4,4-trifluorobutylcyclopentane
PubChem CID149313516
Molecular FormulaC9H15F3
Molecular Weight180.21 g/mol
Exact Mass180.11
IUPAC Name4,4,4-trifluorobutylcyclopentane
SMILESFC(F)(F)CCCC1CCCC1
InChIInChI=1S/C9H15F3/c10-9(11,12)7-3-6-8-4-1-2-5-8/h8H,1-7H2
InChIKeyXZBKWCCWORDMEF-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluorobutylcyclopentane?
The IUPAC name of 4,4,4-trifluorobutylcyclopentane (CID 149313516) is 4,4,4-trifluorobutylcyclopentane.
What is the SMILES notation for 4,4,4-trifluorobutylcyclopentane?
The canonical SMILES for 4,4,4-trifluorobutylcyclopentane is FC(F)(F)CCCC1CCCC1.
What is the InChIKey of 4,4,4-trifluorobutylcyclopentane?
The InChIKey is XZBKWCCWORDMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3/c10-9(11,12)7-3-6-8-4-1-2-5-8/h8H,1-7H2.
What are the key properties of 4,4,4-trifluorobutylcyclopentane?
4,4,4-trifluorobutylcyclopentane has a molecular weight of 180.21 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluorobutylcyclopentane is sourced from PubChem (CID 149313516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).