(3-fluoro-4-methyloxan-4-yl)methanol

C7H13FO2 — CID 105429202

IUPAC(3-fluoro-4-methyloxan-4-yl)methanol
SMILESCC1(CO)CCOCC1F
InChIInChI=1S/C7H13FO2/c1-7(5-9)2-3-10-4-6(7)8/h6,9H,2-5H2,1H3
InChIKeyMUANJPDKKBLJGY-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.74
Rot. Bonds1

About (3-fluoro-4-methyloxan-4-yl)methanol

(3-fluoro-4-methyloxan-4-yl)methanol (PubChem CID 105429202) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is (3-fluoro-4-methyloxan-4-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-4-methyloxan-4-yl)methanol
PubChem CID105429202
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name(3-fluoro-4-methyloxan-4-yl)methanol
SMILESCC1(CO)CCOCC1F
InChIInChI=1S/C7H13FO2/c1-7(5-9)2-3-10-4-6(7)8/h6,9H,2-5H2,1H3
InChIKeyMUANJPDKKBLJGY-UHFFFAOYSA-N
XLogP0.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methyloxan-4-yl)methanol?
The IUPAC name of (3-fluoro-4-methyloxan-4-yl)methanol (CID 105429202) is (3-fluoro-4-methyloxan-4-yl)methanol.
What is the SMILES notation for (3-fluoro-4-methyloxan-4-yl)methanol?
The canonical SMILES for (3-fluoro-4-methyloxan-4-yl)methanol is CC1(CO)CCOCC1F.
What is the InChIKey of (3-fluoro-4-methyloxan-4-yl)methanol?
The InChIKey is MUANJPDKKBLJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2/c1-7(5-9)2-3-10-4-6(7)8/h6,9H,2-5H2,1H3.
What are the key properties of (3-fluoro-4-methyloxan-4-yl)methanol?
(3-fluoro-4-methyloxan-4-yl)methanol has a molecular weight of 148.18 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methyloxan-4-yl)methanol is sourced from PubChem (CID 105429202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).