1,1-difluoro-2-methoxy-2-[1-(3-methoxy-3-propan-2-ylcyclopentyl)propan-2-yl]cyclopentane

C18H32F2O2 — CID 170413601

IUPAC1,1-difluoro-2-methoxy-2-[1-(3-methoxy-3-propan-2-ylcyclopentyl)propan-2-yl]cyclopentane
SMILESCOC1(C(C)C)CCC(CC(C)C2(OC)CCCC2(F)F)C1
InChIInChI=1S/C18H32F2O2/c1-13(2)16(21-4)10-7-15(12-16)11-14(3)17(22-5)8-6-9-18(17,19)20/h13-15H,6-12H2,1-5H3
InChIKeyVHFRXHQHXUQFDP-UHFFFAOYSA-N
MW318.45 g/mol
LogP5.06
Rot. Bonds6

About 1,1-difluoro-2-methoxy-2-[1-(3-methoxy-3-propan-2-ylcyclopentyl)propan-2-yl]cyclopentane

1,1-difluoro-2-methoxy-2-[1-(3-methoxy-3-propan-2-ylcyclopentyl)propan-2-yl]cyclopentane (PubChem CID 170413601) has the molecular formula C18H32F2O2 and a molecular weight of 318.45 g/mol. Its IUPAC name is 1,1-difluoro-2-methoxy-2-[1-(3-methoxy-3-propan-2-ylcyclopentyl)propan-2-yl]cyclopentane.

Molecular Properties

Compound Name1,1-difluoro-2-methoxy-2-[1-(3-methoxy-3-propan-2-ylcyclopentyl)propan-2-yl]cyclopentane
PubChem CID170413601
Molecular FormulaC18H32F2O2
Molecular Weight318.45 g/mol
Exact Mass318.24
IUPAC Name1,1-difluoro-2-methoxy-2-[1-(3-methoxy-3-propan-2-ylcyclopentyl)propan-2-yl]cyclopentane
SMILESCOC1(C(C)C)CCC(CC(C)C2(OC)CCCC2(F)F)C1
InChIInChI=1S/C18H32F2O2/c1-13(2)16(21-4)10-7-15(12-16)11-14(3)17(22-5)8-6-9-18(17,19)20/h13-15H,6-12H2,1-5H3
InChIKeyVHFRXHQHXUQFDP-UHFFFAOYSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.45
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Cyclopentyl-1-methyl-1-(2,2,2-trifluoroethoxy)cyclopentane
CID 57272460
1,1-Difluoro-2-methoxy-2-propan-2-ylcyclopentane;1-methoxy-1-propan-2-ylcyclopentane
CID 170577513
1-[4-[(2-Methylpropan-2-yl)oxy]butyl]-3-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentyl]cyclopentane
CID 156081832
1-Methoxy-3-[2-(1-methoxycyclopentyl)propyl]-1-[2-(3-methoxy-3-methylcyclopentyl)ethyl]cyclopentane
CID 174347598

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methoxy-2-[1-(3-methoxy-3-propan-2-ylcyclopentyl)propan-2-yl]cyclopentane?
The IUPAC name of 1,1-difluoro-2-methoxy-2-[1-(3-methoxy-3-propan-2-ylcyclopentyl)propan-2-yl]cyclopentane (CID 170413601) is 1,1-difluoro-2-methoxy-2-[1-(3-methoxy-3-propan-2-ylcyclopentyl)propan-2-yl]cyclopentane.
What is the SMILES notation for 1,1-difluoro-2-methoxy-2-[1-(3-methoxy-3-propan-2-ylcyclopentyl)propan-2-yl]cyclopentane?
The canonical SMILES for 1,1-difluoro-2-methoxy-2-[1-(3-methoxy-3-propan-2-ylcyclopentyl)propan-2-yl]cyclopentane is COC1(C(C)C)CCC(CC(C)C2(OC)CCCC2(F)F)C1.
What is the InChIKey of 1,1-difluoro-2-methoxy-2-[1-(3-methoxy-3-propan-2-ylcyclopentyl)propan-2-yl]cyclopentane?
The InChIKey is VHFRXHQHXUQFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F2O2/c1-13(2)16(21-4)10-7-15(12-16)11-14(3)17(22-5)8-6-9-18(17,19)20/h13-15H,6-12H2,1-5H3.
What are the key properties of 1,1-difluoro-2-methoxy-2-[1-(3-methoxy-3-propan-2-ylcyclopentyl)propan-2-yl]cyclopentane?
1,1-difluoro-2-methoxy-2-[1-(3-methoxy-3-propan-2-ylcyclopentyl)propan-2-yl]cyclopentane has a molecular weight of 318.45 g/mol, XLogP of 5.06, 6 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-[1-(3-methoxy-3-propan-2-ylcyclopentyl)propan-2-yl]cyclopentane is sourced from PubChem (CID 170413601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).