trans-(1S,2R)-1-propan-2-yl-2-(trifluoromethoxy)cyclopentane

C9H15F3O — CID 174201781

IUPACtrans-(1S,2R)-1-propan-2-yl-2-(trifluoromethoxy)cyclopentane
SMILESCC(C)[C@@H]1CCC[C@H]1OC(F)(F)F
InChIInChI=1S/C9H15F3O/c1-6(2)7-4-3-5-8(7)13-9(10,11)12/h6-8H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeyKQZJIOLCVRPGNL-JGVFFNPUSA-N
MW196.21 g/mol
LogP3.35
Rot. Bonds2

About trans-(1S,2R)-1-propan-2-yl-2-(trifluoromethoxy)cyclopentane

trans-(1S,2R)-1-propan-2-yl-2-(trifluoromethoxy)cyclopentane (PubChem CID 174201781) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is trans-(1S,2R)-1-propan-2-yl-2-(trifluoromethoxy)cyclopentane.

Molecular Properties

Compound Nametrans-(1S,2R)-1-propan-2-yl-2-(trifluoromethoxy)cyclopentane
PubChem CID174201781
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Nametrans-(1S,2R)-1-propan-2-yl-2-(trifluoromethoxy)cyclopentane
SMILESCC(C)[C@@H]1CCC[C@H]1OC(F)(F)F
InChIInChI=1S/C9H15F3O/c1-6(2)7-4-3-5-8(7)13-9(10,11)12/h6-8H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeyKQZJIOLCVRPGNL-JGVFFNPUSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-propan-2-yl-2-(trifluoromethoxy)cyclopentane?
The IUPAC name of trans-(1S,2R)-1-propan-2-yl-2-(trifluoromethoxy)cyclopentane (CID 174201781) is trans-(1S,2R)-1-propan-2-yl-2-(trifluoromethoxy)cyclopentane.
What is the SMILES notation for trans-(1S,2R)-1-propan-2-yl-2-(trifluoromethoxy)cyclopentane?
The canonical SMILES for trans-(1S,2R)-1-propan-2-yl-2-(trifluoromethoxy)cyclopentane is CC(C)[C@@H]1CCC[C@H]1OC(F)(F)F.
What is the InChIKey of trans-(1S,2R)-1-propan-2-yl-2-(trifluoromethoxy)cyclopentane?
The InChIKey is KQZJIOLCVRPGNL-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H15F3O/c1-6(2)7-4-3-5-8(7)13-9(10,11)12/h6-8H,3-5H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of trans-(1S,2R)-1-propan-2-yl-2-(trifluoromethoxy)cyclopentane?
trans-(1S,2R)-1-propan-2-yl-2-(trifluoromethoxy)cyclopentane has a molecular weight of 196.21 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-propan-2-yl-2-(trifluoromethoxy)cyclopentane is sourced from PubChem (CID 174201781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).