2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol

C9H13FO2 — CID 142810090

IUPAC2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol
SMILESCC1=CCOC(C(O)C(C)F)=C1
InChIInChI=1S/C9H13FO2/c1-6-3-4-12-8(5-6)9(11)7(2)10/h3,5,7,9,11H,4H2,1-2H3
InChIKeyBGWWWHXUILLIDW-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.57
Rot. Bonds2

About 2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol

2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol (PubChem CID 142810090) has the molecular formula C9H13FO2 and a molecular weight of 172.20 g/mol. Its IUPAC name is 2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol.

Molecular Properties

Compound Name2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol
PubChem CID142810090
Molecular FormulaC9H13FO2
Molecular Weight172.20 g/mol
Exact Mass172.09
IUPAC Name2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol
SMILESCC1=CCOC(C(O)C(C)F)=C1
InChIInChI=1S/C9H13FO2/c1-6-3-4-12-8(5-6)9(11)7(2)10/h3,5,7,9,11H,4H2,1-2H3
InChIKeyBGWWWHXUILLIDW-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol?
The IUPAC name of 2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol (CID 142810090) is 2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol.
What is the SMILES notation for 2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol?
The canonical SMILES for 2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol is CC1=CCOC(C(O)C(C)F)=C1.
What is the InChIKey of 2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol?
The InChIKey is BGWWWHXUILLIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO2/c1-6-3-4-12-8(5-6)9(11)7(2)10/h3,5,7,9,11H,4H2,1-2H3.
What are the key properties of 2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol?
2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol has a molecular weight of 172.20 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol is sourced from PubChem (CID 142810090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).