(1S,2R,3R)-1-fluoro-2,3-dimethylcyclohexane

C8H15F — CID 155257148

IUPAC(1S,2R,3R)-1-fluoro-2,3-dimethylcyclohexane
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1F
InChIInChI=1S/C8H15F/c1-6-4-3-5-8(9)7(6)2/h6-8H,3-5H2,1-2H3/t6-,7-,8+/m1/s1
InChIKeyOUYJQNQSDACNBT-PRJMDXOYSA-N
MW130.21 g/mol
LogP2.78
Rot. Bonds

About (1S,2R,3R)-1-fluoro-2,3-dimethylcyclohexane

(1S,2R,3R)-1-fluoro-2,3-dimethylcyclohexane (PubChem CID 155257148) has the molecular formula C8H15F and a molecular weight of 130.21 g/mol. Its IUPAC name is (1S,2R,3R)-1-fluoro-2,3-dimethylcyclohexane.

Molecular Properties

Compound Name(1S,2R,3R)-1-fluoro-2,3-dimethylcyclohexane
PubChem CID155257148
Molecular FormulaC8H15F
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Name(1S,2R,3R)-1-fluoro-2,3-dimethylcyclohexane
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1F
InChIInChI=1S/C8H15F/c1-6-4-3-5-8(9)7(6)2/h6-8H,3-5H2,1-2H3/t6-,7-,8+/m1/s1
InChIKeyOUYJQNQSDACNBT-PRJMDXOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R)-1-fluoro-2,3-dimethylcyclohexane?
The IUPAC name of (1S,2R,3R)-1-fluoro-2,3-dimethylcyclohexane (CID 155257148) is (1S,2R,3R)-1-fluoro-2,3-dimethylcyclohexane.
What is the SMILES notation for (1S,2R,3R)-1-fluoro-2,3-dimethylcyclohexane?
The canonical SMILES for (1S,2R,3R)-1-fluoro-2,3-dimethylcyclohexane is C[C@@H]1[C@H](C)CCC[C@@H]1F.
What is the InChIKey of (1S,2R,3R)-1-fluoro-2,3-dimethylcyclohexane?
The InChIKey is OUYJQNQSDACNBT-PRJMDXOYSA-N. The full InChI is InChI=1S/C8H15F/c1-6-4-3-5-8(9)7(6)2/h6-8H,3-5H2,1-2H3/t6-,7-,8+/m1/s1.
What are the key properties of (1S,2R,3R)-1-fluoro-2,3-dimethylcyclohexane?
(1S,2R,3R)-1-fluoro-2,3-dimethylcyclohexane has a molecular weight of 130.21 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R)-1-fluoro-2,3-dimethylcyclohexane is sourced from PubChem (CID 155257148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).