(3S)-1,1-difluoro-3-methylcyclopentane

C6H10F2 — CID 59434161

IUPAC(3S)-1,1-difluoro-3-methylcyclopentane
SMILESC[C@H]1CCC(F)(F)C1
InChIInChI=1S/C6H10F2/c1-5-2-3-6(7,8)4-5/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyNBSJCAVRXHCOAD-YFKPBYRVSA-N
MW120.14 g/mol
LogP2.44
Rot. Bonds

About (3S)-1,1-difluoro-3-methylcyclopentane

(3S)-1,1-difluoro-3-methylcyclopentane (PubChem CID 59434161) has the molecular formula C6H10F2 and a molecular weight of 120.14 g/mol. Its IUPAC name is (3S)-1,1-difluoro-3-methylcyclopentane.

Molecular Properties

Compound Name(3S)-1,1-difluoro-3-methylcyclopentane
PubChem CID59434161
Molecular FormulaC6H10F2
Molecular Weight120.14 g/mol
Exact Mass120.08
IUPAC Name(3S)-1,1-difluoro-3-methylcyclopentane
SMILESC[C@H]1CCC(F)(F)C1
InChIInChI=1S/C6H10F2/c1-5-2-3-6(7,8)4-5/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyNBSJCAVRXHCOAD-YFKPBYRVSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.14
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3S)-1,1-difluoro-3-methylcyclopentane?
The IUPAC name of (3S)-1,1-difluoro-3-methylcyclopentane (CID 59434161) is (3S)-1,1-difluoro-3-methylcyclopentane.
What is the SMILES notation for (3S)-1,1-difluoro-3-methylcyclopentane?
The canonical SMILES for (3S)-1,1-difluoro-3-methylcyclopentane is C[C@H]1CCC(F)(F)C1.
What is the InChIKey of (3S)-1,1-difluoro-3-methylcyclopentane?
The InChIKey is NBSJCAVRXHCOAD-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10F2/c1-5-2-3-6(7,8)4-5/h5H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (3S)-1,1-difluoro-3-methylcyclopentane?
(3S)-1,1-difluoro-3-methylcyclopentane has a molecular weight of 120.14 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,1-difluoro-3-methylcyclopentane is sourced from PubChem (CID 59434161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).