1-(1,1-difluoroethyl)-3-methylcyclopentane

C8H14F2 — CID 20627453

IUPAC1-(1,1-difluoroethyl)-3-methylcyclopentane
SMILESCC1CCC(C(C)(F)F)C1
InChIInChI=1S/C8H14F2/c1-6-3-4-7(5-6)8(2,9)10/h6-7H,3-5H2,1-2H3
InChIKeyACDUQRBILORUKC-UHFFFAOYSA-N
MW148.20 g/mol
LogP3.08
Rot. Bonds1

About 1-(1,1-difluoroethyl)-3-methylcyclopentane

1-(1,1-difluoroethyl)-3-methylcyclopentane (PubChem CID 20627453) has the molecular formula C8H14F2 and a molecular weight of 148.20 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)-3-methylcyclopentane.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-3-methylcyclopentane
PubChem CID20627453
Molecular FormulaC8H14F2
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name1-(1,1-difluoroethyl)-3-methylcyclopentane
SMILESCC1CCC(C(C)(F)F)C1
InChIInChI=1S/C8H14F2/c1-6-3-4-7(5-6)8(2,9)10/h6-7H,3-5H2,1-2H3
InChIKeyACDUQRBILORUKC-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyl)-3-methylcyclopentane?
The IUPAC name of 1-(1,1-difluoroethyl)-3-methylcyclopentane (CID 20627453) is 1-(1,1-difluoroethyl)-3-methylcyclopentane.
What is the SMILES notation for 1-(1,1-difluoroethyl)-3-methylcyclopentane?
The canonical SMILES for 1-(1,1-difluoroethyl)-3-methylcyclopentane is CC1CCC(C(C)(F)F)C1.
What is the InChIKey of 1-(1,1-difluoroethyl)-3-methylcyclopentane?
The InChIKey is ACDUQRBILORUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2/c1-6-3-4-7(5-6)8(2,9)10/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(1,1-difluoroethyl)-3-methylcyclopentane?
1-(1,1-difluoroethyl)-3-methylcyclopentane has a molecular weight of 148.20 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)-3-methylcyclopentane is sourced from PubChem (CID 20627453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).