(3S,4R)-3-fluoro-4-(3-methylbutoxy)oxane

C10H19FO2 — CID 178173069

IUPAC(3S,4R)-3-fluoro-4-(3-methylbutoxy)oxane
SMILESCC(C)CCO[C@@H]1CCOC[C@@H]1F
InChIInChI=1S/C10H19FO2/c1-8(2)3-6-13-10-4-5-12-7-9(10)11/h8-10H,3-7H2,1-2H3/t9-,10+/m0/s1
InChIKeyBROWBTVHWVHTKR-VHSXEESVSA-N
MW190.26 g/mol
LogP2.18
Rot. Bonds4

About (3S,4R)-3-fluoro-4-(3-methylbutoxy)oxane

(3S,4R)-3-fluoro-4-(3-methylbutoxy)oxane (PubChem CID 178173069) has the molecular formula C10H19FO2 and a molecular weight of 190.26 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-4-(3-methylbutoxy)oxane.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-4-(3-methylbutoxy)oxane
PubChem CID178173069
Molecular FormulaC10H19FO2
Molecular Weight190.26 g/mol
Exact Mass190.14
IUPAC Name(3S,4R)-3-fluoro-4-(3-methylbutoxy)oxane
SMILESCC(C)CCO[C@@H]1CCOC[C@@H]1F
InChIInChI=1S/C10H19FO2/c1-8(2)3-6-13-10-4-5-12-7-9(10)11/h8-10H,3-7H2,1-2H3/t9-,10+/m0/s1
InChIKeyBROWBTVHWVHTKR-VHSXEESVSA-N
XLogP2.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-4-(3-methylbutoxy)oxane?
The IUPAC name of (3S,4R)-3-fluoro-4-(3-methylbutoxy)oxane (CID 178173069) is (3S,4R)-3-fluoro-4-(3-methylbutoxy)oxane.
What is the SMILES notation for (3S,4R)-3-fluoro-4-(3-methylbutoxy)oxane?
The canonical SMILES for (3S,4R)-3-fluoro-4-(3-methylbutoxy)oxane is CC(C)CCO[C@@H]1CCOC[C@@H]1F.
What is the InChIKey of (3S,4R)-3-fluoro-4-(3-methylbutoxy)oxane?
The InChIKey is BROWBTVHWVHTKR-VHSXEESVSA-N. The full InChI is InChI=1S/C10H19FO2/c1-8(2)3-6-13-10-4-5-12-7-9(10)11/h8-10H,3-7H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of (3S,4R)-3-fluoro-4-(3-methylbutoxy)oxane?
(3S,4R)-3-fluoro-4-(3-methylbutoxy)oxane has a molecular weight of 190.26 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-4-(3-methylbutoxy)oxane is sourced from PubChem (CID 178173069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).