(4R)-2-[(4-fluorooxan-4-yl)methyl]-4-methyloxane

C12H21FO2 — CID 153270904

IUPAC(4R)-2-[(4-fluorooxan-4-yl)methyl]-4-methyloxane
SMILESC[C@@H]1CCOC(CC2(F)CCOCC2)C1
InChIInChI=1S/C12H21FO2/c1-10-2-5-15-11(8-10)9-12(13)3-6-14-7-4-12/h10-11H,2-9H2,1H3/t10-,11?/m1/s1
InChIKeyWXCLTDDJPJMEKC-NFJWQWPMSA-N
MW216.30 g/mol
LogP2.71
Rot. Bonds2

About (4R)-2-[(4-fluorooxan-4-yl)methyl]-4-methyloxane

(4R)-2-[(4-fluorooxan-4-yl)methyl]-4-methyloxane (PubChem CID 153270904) has the molecular formula C12H21FO2 and a molecular weight of 216.30 g/mol. Its IUPAC name is (4R)-2-[(4-fluorooxan-4-yl)methyl]-4-methyloxane.

Molecular Properties

Compound Name(4R)-2-[(4-fluorooxan-4-yl)methyl]-4-methyloxane
PubChem CID153270904
Molecular FormulaC12H21FO2
Molecular Weight216.30 g/mol
Exact Mass216.15
IUPAC Name(4R)-2-[(4-fluorooxan-4-yl)methyl]-4-methyloxane
SMILESC[C@@H]1CCOC(CC2(F)CCOCC2)C1
InChIInChI=1S/C12H21FO2/c1-10-2-5-15-11(8-10)9-12(13)3-6-14-7-4-12/h10-11H,2-9H2,1H3/t10-,11?/m1/s1
InChIKeyWXCLTDDJPJMEKC-NFJWQWPMSA-N
XLogP2.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-[(4-fluorooxan-4-yl)methyl]-4-methyloxane?
The IUPAC name of (4R)-2-[(4-fluorooxan-4-yl)methyl]-4-methyloxane (CID 153270904) is (4R)-2-[(4-fluorooxan-4-yl)methyl]-4-methyloxane.
What is the SMILES notation for (4R)-2-[(4-fluorooxan-4-yl)methyl]-4-methyloxane?
The canonical SMILES for (4R)-2-[(4-fluorooxan-4-yl)methyl]-4-methyloxane is C[C@@H]1CCOC(CC2(F)CCOCC2)C1.
What is the InChIKey of (4R)-2-[(4-fluorooxan-4-yl)methyl]-4-methyloxane?
The InChIKey is WXCLTDDJPJMEKC-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H21FO2/c1-10-2-5-15-11(8-10)9-12(13)3-6-14-7-4-12/h10-11H,2-9H2,1H3/t10-,11?/m1/s1.
What are the key properties of (4R)-2-[(4-fluorooxan-4-yl)methyl]-4-methyloxane?
(4R)-2-[(4-fluorooxan-4-yl)methyl]-4-methyloxane has a molecular weight of 216.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[(4-fluorooxan-4-yl)methyl]-4-methyloxane is sourced from PubChem (CID 153270904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).