(2S)-2-fluoro-1-methoxy-4-methylpentane

C7H15FO — CID 167009743

IUPAC(2S)-2-fluoro-1-methoxy-4-methylpentane
SMILESCOC[C@@H](F)CC(C)C
InChIInChI=1S/C7H15FO/c1-6(2)4-7(8)5-9-3/h6-7H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyUTVCTUDGPWZXLL-ZETCQYMHSA-N
MW134.19 g/mol
LogP2.02
Rot. Bonds4

About (2S)-2-fluoro-1-methoxy-4-methylpentane

(2S)-2-fluoro-1-methoxy-4-methylpentane (PubChem CID 167009743) has the molecular formula C7H15FO and a molecular weight of 134.19 g/mol. Its IUPAC name is (2S)-2-fluoro-1-methoxy-4-methylpentane.

Molecular Properties

Compound Name(2S)-2-fluoro-1-methoxy-4-methylpentane
PubChem CID167009743
Molecular FormulaC7H15FO
Molecular Weight134.19 g/mol
Exact Mass134.11
IUPAC Name(2S)-2-fluoro-1-methoxy-4-methylpentane
SMILESCOC[C@@H](F)CC(C)C
InChIInChI=1S/C7H15FO/c1-6(2)4-7(8)5-9-3/h6-7H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyUTVCTUDGPWZXLL-ZETCQYMHSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.19
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-1-methoxy-4-methylpentane?
The IUPAC name of (2S)-2-fluoro-1-methoxy-4-methylpentane (CID 167009743) is (2S)-2-fluoro-1-methoxy-4-methylpentane.
What is the SMILES notation for (2S)-2-fluoro-1-methoxy-4-methylpentane?
The canonical SMILES for (2S)-2-fluoro-1-methoxy-4-methylpentane is COC[C@@H](F)CC(C)C.
What is the InChIKey of (2S)-2-fluoro-1-methoxy-4-methylpentane?
The InChIKey is UTVCTUDGPWZXLL-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15FO/c1-6(2)4-7(8)5-9-3/h6-7H,4-5H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-2-fluoro-1-methoxy-4-methylpentane?
(2S)-2-fluoro-1-methoxy-4-methylpentane has a molecular weight of 134.19 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-1-methoxy-4-methylpentane is sourced from PubChem (CID 167009743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).