1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane;1-methoxy-1-propan-2-ylcyclopentane

C18H34F2O2 — CID 170577513

IUPAC1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane;1-methoxy-1-propan-2-ylcyclopentane
SMILESCOC1(C(C)C)CCCC1.COC1(C(C)C)CCCC1(F)F
InChIInChI=1S/C9H16F2O.C9H18O/c1-7(2)8(12-3)5-4-6-9(8,10)11;1-8(2)9(10-3)6-4-5-7-9/h7H,4-6H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyDSGNUVWFTOSTHK-UHFFFAOYSA-N
MW320.46 g/mol
LogP5.45
Rot. Bonds4

About 1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane;1-methoxy-1-propan-2-ylcyclopentane

1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane;1-methoxy-1-propan-2-ylcyclopentane (PubChem CID 170577513) has the molecular formula C18H34F2O2 and a molecular weight of 320.46 g/mol. Its IUPAC name is 1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane;1-methoxy-1-propan-2-ylcyclopentane.

Molecular Properties

Compound Name1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane;1-methoxy-1-propan-2-ylcyclopentane
PubChem CID170577513
Molecular FormulaC18H34F2O2
Molecular Weight320.46 g/mol
Exact Mass320.25
IUPAC Name1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane;1-methoxy-1-propan-2-ylcyclopentane
SMILESCOC1(C(C)C)CCCC1.COC1(C(C)C)CCCC1(F)F
InChIInChI=1S/C9H16F2O.C9H18O/c1-7(2)8(12-3)5-4-6-9(8,10)11;1-8(2)9(10-3)6-4-5-7-9/h7H,4-6H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyDSGNUVWFTOSTHK-UHFFFAOYSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.46
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-Difluoro-2-methoxy-2-[1-(3-methoxy-3-propan-2-ylcyclopentyl)propan-2-yl]cyclopentane
CID 170413601
1,1-Difluoro-2-methoxy-2-propan-2-ylcyclopentane
CID 170577514

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane;1-methoxy-1-propan-2-ylcyclopentane?
The IUPAC name of 1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane;1-methoxy-1-propan-2-ylcyclopentane (CID 170577513) is 1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane;1-methoxy-1-propan-2-ylcyclopentane.
What is the SMILES notation for 1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane;1-methoxy-1-propan-2-ylcyclopentane?
The canonical SMILES for 1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane;1-methoxy-1-propan-2-ylcyclopentane is COC1(C(C)C)CCCC1.COC1(C(C)C)CCCC1(F)F.
What is the InChIKey of 1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane;1-methoxy-1-propan-2-ylcyclopentane?
The InChIKey is DSGNUVWFTOSTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O.C9H18O/c1-7(2)8(12-3)5-4-6-9(8,10)11;1-8(2)9(10-3)6-4-5-7-9/h7H,4-6H2,1-3H3;8H,4-7H2,1-3H3.
What are the key properties of 1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane;1-methoxy-1-propan-2-ylcyclopentane?
1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane;1-methoxy-1-propan-2-ylcyclopentane has a molecular weight of 320.46 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane;1-methoxy-1-propan-2-ylcyclopentane is sourced from PubChem (CID 170577513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).