(1R)-1-deuterio-3-fluoro-1,3-dimethylcyclopentane

C7H13F — CID 130352610

IUPAC(1R)-1-deuterio-3-fluoro-1,3-dimethylcyclopentane
SMILES[2H][C@@]1(C)CCC(C)(F)C1
InChIInChI=1S/C7H13F/c1-6-3-4-7(2,8)5-6/h6H,3-5H2,1-2H3/t6-,7?/m1/s1/i6D
InChIKeyUHBMWBFXFDXZPV-JETULELBSA-N
MW117.19 g/mol
LogP2.53
Rot. Bonds

About (1R)-1-deuterio-3-fluoro-1,3-dimethylcyclopentane

(1R)-1-deuterio-3-fluoro-1,3-dimethylcyclopentane (PubChem CID 130352610) has the molecular formula C7H13F and a molecular weight of 117.19 g/mol. Its IUPAC name is (1R)-1-deuterio-3-fluoro-1,3-dimethylcyclopentane.

Molecular Properties

Compound Name(1R)-1-deuterio-3-fluoro-1,3-dimethylcyclopentane
PubChem CID130352610
Molecular FormulaC7H13F
Molecular Weight117.19 g/mol
Exact Mass117.11
IUPAC Name(1R)-1-deuterio-3-fluoro-1,3-dimethylcyclopentane
SMILES[2H][C@@]1(C)CCC(C)(F)C1
InChIInChI=1S/C7H13F/c1-6-3-4-7(2,8)5-6/h6H,3-5H2,1-2H3/t6-,7?/m1/s1/i6D
InChIKeyUHBMWBFXFDXZPV-JETULELBSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-deuterio-3-fluoro-1,3-dimethylcyclopentane?
The IUPAC name of (1R)-1-deuterio-3-fluoro-1,3-dimethylcyclopentane (CID 130352610) is (1R)-1-deuterio-3-fluoro-1,3-dimethylcyclopentane.
What is the SMILES notation for (1R)-1-deuterio-3-fluoro-1,3-dimethylcyclopentane?
The canonical SMILES for (1R)-1-deuterio-3-fluoro-1,3-dimethylcyclopentane is [2H][C@@]1(C)CCC(C)(F)C1.
What is the InChIKey of (1R)-1-deuterio-3-fluoro-1,3-dimethylcyclopentane?
The InChIKey is UHBMWBFXFDXZPV-JETULELBSA-N. The full InChI is InChI=1S/C7H13F/c1-6-3-4-7(2,8)5-6/h6H,3-5H2,1-2H3/t6-,7?/m1/s1/i6D.
What are the key properties of (1R)-1-deuterio-3-fluoro-1,3-dimethylcyclopentane?
(1R)-1-deuterio-3-fluoro-1,3-dimethylcyclopentane has a molecular weight of 117.19 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-deuterio-3-fluoro-1,3-dimethylcyclopentane is sourced from PubChem (CID 130352610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).