(3R)-1,1-difluoro-3-propan-2-ylcyclopentane

C8H14F2 — CID 59458422

IUPAC(3R)-1,1-difluoro-3-propan-2-ylcyclopentane
SMILESCC(C)[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C8H14F2/c1-6(2)7-3-4-8(9,10)5-7/h6-7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyQUHCEMPBTLTGOC-SSDOTTSWSA-N
MW148.20 g/mol
LogP3.08
Rot. Bonds1

About (3R)-1,1-difluoro-3-propan-2-ylcyclopentane

(3R)-1,1-difluoro-3-propan-2-ylcyclopentane (PubChem CID 59458422) has the molecular formula C8H14F2 and a molecular weight of 148.20 g/mol. Its IUPAC name is (3R)-1,1-difluoro-3-propan-2-ylcyclopentane.

Molecular Properties

Compound Name(3R)-1,1-difluoro-3-propan-2-ylcyclopentane
PubChem CID59458422
Molecular FormulaC8H14F2
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name(3R)-1,1-difluoro-3-propan-2-ylcyclopentane
SMILESCC(C)[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C8H14F2/c1-6(2)7-3-4-8(9,10)5-7/h6-7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyQUHCEMPBTLTGOC-SSDOTTSWSA-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 (3R)-1,1-difluoro-3-propan-2-ylcyclopentane?
The IUPAC name of (3R)-1,1-difluoro-3-propan-2-ylcyclopentane (CID 59458422) is (3R)-1,1-difluoro-3-propan-2-ylcyclopentane.
What is the SMILES notation for (3R)-1,1-difluoro-3-propan-2-ylcyclopentane?
The canonical SMILES for (3R)-1,1-difluoro-3-propan-2-ylcyclopentane is CC(C)[C@@H]1CCC(F)(F)C1.
What is the InChIKey of (3R)-1,1-difluoro-3-propan-2-ylcyclopentane?
The InChIKey is QUHCEMPBTLTGOC-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14F2/c1-6(2)7-3-4-8(9,10)5-7/h6-7H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of (3R)-1,1-difluoro-3-propan-2-ylcyclopentane?
(3R)-1,1-difluoro-3-propan-2-ylcyclopentane 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 (3R)-1,1-difluoro-3-propan-2-ylcyclopentane is sourced from PubChem (CID 59458422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).