1,1,1-trifluorobutan-2-ylcyclopentane

C9H15F3 — CID 57196941

IUPAC1,1,1-trifluorobutan-2-ylcyclopentane
SMILESCCC(C1CCCC1)C(F)(F)F
InChIInChI=1S/C9H15F3/c1-2-8(9(10,11)12)7-5-3-4-6-7/h7-8H,2-6H2,1H3
InChIKeyAJIBZEYOULOXAW-UHFFFAOYSA-N
MW180.21 g/mol
LogP3.77
Rot. Bonds2

About 1,1,1-trifluorobutan-2-ylcyclopentane

1,1,1-trifluorobutan-2-ylcyclopentane (PubChem CID 57196941) has the molecular formula C9H15F3 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1,1,1-trifluorobutan-2-ylcyclopentane.

Molecular Properties

Compound Name1,1,1-trifluorobutan-2-ylcyclopentane
PubChem CID57196941
Molecular FormulaC9H15F3
Molecular Weight180.21 g/mol
Exact Mass180.11
IUPAC Name1,1,1-trifluorobutan-2-ylcyclopentane
SMILESCCC(C1CCCC1)C(F)(F)F
InChIInChI=1S/C9H15F3/c1-2-8(9(10,11)12)7-5-3-4-6-7/h7-8H,2-6H2,1H3
InChIKeyAJIBZEYOULOXAW-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluorobutan-2-ylcyclopentane?
The IUPAC name of 1,1,1-trifluorobutan-2-ylcyclopentane (CID 57196941) is 1,1,1-trifluorobutan-2-ylcyclopentane.
What is the SMILES notation for 1,1,1-trifluorobutan-2-ylcyclopentane?
The canonical SMILES for 1,1,1-trifluorobutan-2-ylcyclopentane is CCC(C1CCCC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluorobutan-2-ylcyclopentane?
The InChIKey is AJIBZEYOULOXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3/c1-2-8(9(10,11)12)7-5-3-4-6-7/h7-8H,2-6H2,1H3.
What are the key properties of 1,1,1-trifluorobutan-2-ylcyclopentane?
1,1,1-trifluorobutan-2-ylcyclopentane has a molecular weight of 180.21 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluorobutan-2-ylcyclopentane is sourced from PubChem (CID 57196941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).