1-propan-2-yl-1-(trifluoromethoxy)cyclopentane

C9H15F3O — CID 154985432

IUPAC1-propan-2-yl-1-(trifluoromethoxy)cyclopentane
SMILESCC(C)C1(OC(F)(F)F)CCCC1
InChIInChI=1S/C9H15F3O/c1-7(2)8(5-3-4-6-8)13-9(10,11)12/h7H,3-6H2,1-2H3
InChIKeyRNAIMCFGBRAHAR-UHFFFAOYSA-N
MW196.21 g/mol
LogP3.49
Rot. Bonds2

About 1-propan-2-yl-1-(trifluoromethoxy)cyclopentane

1-propan-2-yl-1-(trifluoromethoxy)cyclopentane (PubChem CID 154985432) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-propan-2-yl-1-(trifluoromethoxy)cyclopentane.

Molecular Properties

Compound Name1-propan-2-yl-1-(trifluoromethoxy)cyclopentane
PubChem CID154985432
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name1-propan-2-yl-1-(trifluoromethoxy)cyclopentane
SMILESCC(C)C1(OC(F)(F)F)CCCC1
InChIInChI=1S/C9H15F3O/c1-7(2)8(5-3-4-6-8)13-9(10,11)12/h7H,3-6H2,1-2H3
InChIKeyRNAIMCFGBRAHAR-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-1-(trifluoromethoxy)cyclopentane?
The IUPAC name of 1-propan-2-yl-1-(trifluoromethoxy)cyclopentane (CID 154985432) is 1-propan-2-yl-1-(trifluoromethoxy)cyclopentane.
What is the SMILES notation for 1-propan-2-yl-1-(trifluoromethoxy)cyclopentane?
The canonical SMILES for 1-propan-2-yl-1-(trifluoromethoxy)cyclopentane is CC(C)C1(OC(F)(F)F)CCCC1.
What is the InChIKey of 1-propan-2-yl-1-(trifluoromethoxy)cyclopentane?
The InChIKey is RNAIMCFGBRAHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O/c1-7(2)8(5-3-4-6-8)13-9(10,11)12/h7H,3-6H2,1-2H3.
What are the key properties of 1-propan-2-yl-1-(trifluoromethoxy)cyclopentane?
1-propan-2-yl-1-(trifluoromethoxy)cyclopentane has a molecular weight of 196.21 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-1-(trifluoromethoxy)cyclopentane is sourced from PubChem (CID 154985432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).