(2R)-2-[(1S)-1-fluoropropoxy]butane

C7H15FO — CID 126612497

IUPAC(2R)-2-[(1S)-1-fluoropropoxy]butane
SMILESCC[C@@H](C)O[C@@H](F)CC
InChIInChI=1S/C7H15FO/c1-4-6(3)9-7(8)5-2/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyKSGKLGVMVFMMMS-RNFRBKRXSA-N
MW134.19 g/mol
LogP2.51
Rot. Bonds4

About (2R)-2-[(1S)-1-fluoropropoxy]butane

(2R)-2-[(1S)-1-fluoropropoxy]butane (PubChem CID 126612497) has the molecular formula C7H15FO and a molecular weight of 134.19 g/mol. Its IUPAC name is (2R)-2-[(1S)-1-fluoropropoxy]butane.

Molecular Properties

Compound Name(2R)-2-[(1S)-1-fluoropropoxy]butane
PubChem CID126612497
Molecular FormulaC7H15FO
Molecular Weight134.19 g/mol
Exact Mass134.11
IUPAC Name(2R)-2-[(1S)-1-fluoropropoxy]butane
SMILESCC[C@@H](C)O[C@@H](F)CC
InChIInChI=1S/C7H15FO/c1-4-6(3)9-7(8)5-2/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyKSGKLGVMVFMMMS-RNFRBKRXSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1-fluoropropoxy]butane?
The IUPAC name of (2R)-2-[(1S)-1-fluoropropoxy]butane (CID 126612497) is (2R)-2-[(1S)-1-fluoropropoxy]butane.
What is the SMILES notation for (2R)-2-[(1S)-1-fluoropropoxy]butane?
The canonical SMILES for (2R)-2-[(1S)-1-fluoropropoxy]butane is CC[C@@H](C)O[C@@H](F)CC.
What is the InChIKey of (2R)-2-[(1S)-1-fluoropropoxy]butane?
The InChIKey is KSGKLGVMVFMMMS-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H15FO/c1-4-6(3)9-7(8)5-2/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1.
What are the key properties of (2R)-2-[(1S)-1-fluoropropoxy]butane?
(2R)-2-[(1S)-1-fluoropropoxy]butane has a molecular weight of 134.19 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1-fluoropropoxy]butane is sourced from PubChem (CID 126612497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).