trans-(1R,2S)-1-(difluoromethoxy)-2-propan-2-ylcyclopentane

C9H16F2O — CID 174198562

IUPACtrans-(1R,2S)-1-(difluoromethoxy)-2-propan-2-ylcyclopentane
SMILESCC(C)[C@@H]1CCC[C@H]1OC(F)F
InChIInChI=1S/C9H16F2O/c1-6(2)7-4-3-5-8(7)12-9(10)11/h6-9H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeyJONYAHHSYHGMTQ-JGVFFNPUSA-N
MW178.22 g/mol
LogP3.05
Rot. Bonds3

About trans-(1R,2S)-1-(difluoromethoxy)-2-propan-2-ylcyclopentane

trans-(1R,2S)-1-(difluoromethoxy)-2-propan-2-ylcyclopentane (PubChem CID 174198562) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is trans-(1R,2S)-1-(difluoromethoxy)-2-propan-2-ylcyclopentane.

Molecular Properties

Compound Nametrans-(1R,2S)-1-(difluoromethoxy)-2-propan-2-ylcyclopentane
PubChem CID174198562
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Nametrans-(1R,2S)-1-(difluoromethoxy)-2-propan-2-ylcyclopentane
SMILESCC(C)[C@@H]1CCC[C@H]1OC(F)F
InChIInChI=1S/C9H16F2O/c1-6(2)7-4-3-5-8(7)12-9(10)11/h6-9H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeyJONYAHHSYHGMTQ-JGVFFNPUSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-(difluoromethoxy)-2-propan-2-ylcyclopentane?
The IUPAC name of trans-(1R,2S)-1-(difluoromethoxy)-2-propan-2-ylcyclopentane (CID 174198562) is trans-(1R,2S)-1-(difluoromethoxy)-2-propan-2-ylcyclopentane.
What is the SMILES notation for trans-(1R,2S)-1-(difluoromethoxy)-2-propan-2-ylcyclopentane?
The canonical SMILES for trans-(1R,2S)-1-(difluoromethoxy)-2-propan-2-ylcyclopentane is CC(C)[C@@H]1CCC[C@H]1OC(F)F.
What is the InChIKey of trans-(1R,2S)-1-(difluoromethoxy)-2-propan-2-ylcyclopentane?
The InChIKey is JONYAHHSYHGMTQ-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H16F2O/c1-6(2)7-4-3-5-8(7)12-9(10)11/h6-9H,3-5H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of trans-(1R,2S)-1-(difluoromethoxy)-2-propan-2-ylcyclopentane?
trans-(1R,2S)-1-(difluoromethoxy)-2-propan-2-ylcyclopentane has a molecular weight of 178.22 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-(difluoromethoxy)-2-propan-2-ylcyclopentane is sourced from PubChem (CID 174198562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).