(2R)-2-fluoro-1-methoxy-2,4,4-trimethylpentane

C9H19FO — CID 140919930

IUPAC(2R)-2-fluoro-1-methoxy-2,4,4-trimethylpentane
SMILESCOC[C@](C)(F)CC(C)(C)C
InChIInChI=1S/C9H19FO/c1-8(2,3)6-9(4,10)7-11-5/h6-7H2,1-5H3/t9-/m1/s1
InChIKeyRCIZJKFYPLIQRI-SECBINFHSA-N
MW162.25 g/mol
LogP2.80
Rot. Bonds3

About (2R)-2-fluoro-1-methoxy-2,4,4-trimethylpentane

(2R)-2-fluoro-1-methoxy-2,4,4-trimethylpentane (PubChem CID 140919930) has the molecular formula C9H19FO and a molecular weight of 162.25 g/mol. Its IUPAC name is (2R)-2-fluoro-1-methoxy-2,4,4-trimethylpentane.

Molecular Properties

Compound Name(2R)-2-fluoro-1-methoxy-2,4,4-trimethylpentane
PubChem CID140919930
Molecular FormulaC9H19FO
Molecular Weight162.25 g/mol
Exact Mass162.14
IUPAC Name(2R)-2-fluoro-1-methoxy-2,4,4-trimethylpentane
SMILESCOC[C@](C)(F)CC(C)(C)C
InChIInChI=1S/C9H19FO/c1-8(2,3)6-9(4,10)7-11-5/h6-7H2,1-5H3/t9-/m1/s1
InChIKeyRCIZJKFYPLIQRI-SECBINFHSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R)-2-fluoro-1-methoxy-2,4,4-trimethylpentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-1-methoxy-2,4,4-trimethylpentane?
The IUPAC name of (2R)-2-fluoro-1-methoxy-2,4,4-trimethylpentane (CID 140919930) is (2R)-2-fluoro-1-methoxy-2,4,4-trimethylpentane.
What is the SMILES notation for (2R)-2-fluoro-1-methoxy-2,4,4-trimethylpentane?
The canonical SMILES for (2R)-2-fluoro-1-methoxy-2,4,4-trimethylpentane is COC[C@](C)(F)CC(C)(C)C.
What is the InChIKey of (2R)-2-fluoro-1-methoxy-2,4,4-trimethylpentane?
The InChIKey is RCIZJKFYPLIQRI-SECBINFHSA-N. The full InChI is InChI=1S/C9H19FO/c1-8(2,3)6-9(4,10)7-11-5/h6-7H2,1-5H3/t9-/m1/s1.
What are the key properties of (2R)-2-fluoro-1-methoxy-2,4,4-trimethylpentane?
(2R)-2-fluoro-1-methoxy-2,4,4-trimethylpentane has a molecular weight of 162.25 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-1-methoxy-2,4,4-trimethylpentane is sourced from PubChem (CID 140919930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).