cis-(1S,2R)-1-fluoro-2,3-dimethylcyclopentane

C7H13F — CID 126671051

IUPACcis-(1S,2R)-1-fluoro-2,3-dimethylcyclopentane
SMILESCC1CC[C@H](F)[C@@H]1C
InChIInChI=1S/C7H13F/c1-5-3-4-7(8)6(5)2/h5-7H,3-4H2,1-2H3/t5?,6-,7+/m1/s1
InChIKeyWSEIQNARVRQTEI-FWPZAIACSA-N
MW116.18 g/mol
LogP2.39
Rot. Bonds

About cis-(1S,2R)-1-fluoro-2,3-dimethylcyclopentane

cis-(1S,2R)-1-fluoro-2,3-dimethylcyclopentane (PubChem CID 126671051) has the molecular formula C7H13F and a molecular weight of 116.18 g/mol. Its IUPAC name is cis-(1S,2R)-1-fluoro-2,3-dimethylcyclopentane.

Molecular Properties

Compound Namecis-(1S,2R)-1-fluoro-2,3-dimethylcyclopentane
PubChem CID126671051
Molecular FormulaC7H13F
Molecular Weight116.18 g/mol
Exact Mass116.10
IUPAC Namecis-(1S,2R)-1-fluoro-2,3-dimethylcyclopentane
SMILESCC1CC[C@H](F)[C@@H]1C
InChIInChI=1S/C7H13F/c1-5-3-4-7(8)6(5)2/h5-7H,3-4H2,1-2H3/t5?,6-,7+/m1/s1
InChIKeyWSEIQNARVRQTEI-FWPZAIACSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-fluoro-2,3-dimethylcyclopentane?
The IUPAC name of cis-(1S,2R)-1-fluoro-2,3-dimethylcyclopentane (CID 126671051) is cis-(1S,2R)-1-fluoro-2,3-dimethylcyclopentane.
What is the SMILES notation for cis-(1S,2R)-1-fluoro-2,3-dimethylcyclopentane?
The canonical SMILES for cis-(1S,2R)-1-fluoro-2,3-dimethylcyclopentane is CC1CC[C@H](F)[C@@H]1C.
What is the InChIKey of cis-(1S,2R)-1-fluoro-2,3-dimethylcyclopentane?
The InChIKey is WSEIQNARVRQTEI-FWPZAIACSA-N. The full InChI is InChI=1S/C7H13F/c1-5-3-4-7(8)6(5)2/h5-7H,3-4H2,1-2H3/t5?,6-,7+/m1/s1.
What are the key properties of cis-(1S,2R)-1-fluoro-2,3-dimethylcyclopentane?
cis-(1S,2R)-1-fluoro-2,3-dimethylcyclopentane has a molecular weight of 116.18 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-fluoro-2,3-dimethylcyclopentane is sourced from PubChem (CID 126671051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).