1-(difluoromethylidene)-3-propan-2-ylcyclopentane

C9H14F2 — CID 169181851

IUPAC1-(difluoromethylidene)-3-propan-2-ylcyclopentane
SMILESCC(C)C1CCC(=C(F)F)C1
InChIInChI=1S/C9H14F2/c1-6(2)7-3-4-8(5-7)9(10)11/h6-7H,3-5H2,1-2H3
InChIKeyGQQALHSTQDBKJI-UHFFFAOYSA-N
MW160.21 g/mol
LogP3.59
Rot. Bonds1

About 1-(difluoromethylidene)-3-propan-2-ylcyclopentane

1-(difluoromethylidene)-3-propan-2-ylcyclopentane (PubChem CID 169181851) has the molecular formula C9H14F2 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1-(difluoromethylidene)-3-propan-2-ylcyclopentane.

Molecular Properties

Compound Name1-(difluoromethylidene)-3-propan-2-ylcyclopentane
PubChem CID169181851
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1-(difluoromethylidene)-3-propan-2-ylcyclopentane
SMILESCC(C)C1CCC(=C(F)F)C1
InChIInChI=1S/C9H14F2/c1-6(2)7-3-4-8(5-7)9(10)11/h6-7H,3-5H2,1-2H3
InChIKeyGQQALHSTQDBKJI-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylidene)-3-propan-2-ylcyclopentane?
The IUPAC name of 1-(difluoromethylidene)-3-propan-2-ylcyclopentane (CID 169181851) is 1-(difluoromethylidene)-3-propan-2-ylcyclopentane.
What is the SMILES notation for 1-(difluoromethylidene)-3-propan-2-ylcyclopentane?
The canonical SMILES for 1-(difluoromethylidene)-3-propan-2-ylcyclopentane is CC(C)C1CCC(=C(F)F)C1.
What is the InChIKey of 1-(difluoromethylidene)-3-propan-2-ylcyclopentane?
The InChIKey is GQQALHSTQDBKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2/c1-6(2)7-3-4-8(5-7)9(10)11/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(difluoromethylidene)-3-propan-2-ylcyclopentane?
1-(difluoromethylidene)-3-propan-2-ylcyclopentane has a molecular weight of 160.21 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylidene)-3-propan-2-ylcyclopentane is sourced from PubChem (CID 169181851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).