1-fluoro-1-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)propan-2-ol

C13H16F2O2 — CID 174495597

IUPAC1-fluoro-1-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)propan-2-ol
SMILESCC(O)C(F)C1(C)CCOc2ccc(F)cc21
InChIInChI=1S/C13H16F2O2/c1-8(16)12(15)13(2)5-6-17-11-4-3-9(14)7-10(11)13/h3-4,7-8,12,16H,5-6H2,1-2H3
InChIKeyZUKSJYHXORKCSB-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.58
Rot. Bonds2

About 1-fluoro-1-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)propan-2-ol

1-fluoro-1-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)propan-2-ol (PubChem CID 174495597) has the molecular formula C13H16F2O2 and a molecular weight of 242.26 g/mol. Its IUPAC name is 1-fluoro-1-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-fluoro-1-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)propan-2-ol
PubChem CID174495597
Molecular FormulaC13H16F2O2
Molecular Weight242.26 g/mol
Exact Mass242.11
IUPAC Name1-fluoro-1-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)propan-2-ol
SMILESCC(O)C(F)C1(C)CCOc2ccc(F)cc21
InChIInChI=1S/C13H16F2O2/c1-8(16)12(15)13(2)5-6-17-11-4-3-9(14)7-10(11)13/h3-4,7-8,12,16H,5-6H2,1-2H3
InChIKeyZUKSJYHXORKCSB-UHFFFAOYSA-N
XLogP2.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)propan-2-ol?
The IUPAC name of 1-fluoro-1-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)propan-2-ol (CID 174495597) is 1-fluoro-1-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)propan-2-ol.
What is the SMILES notation for 1-fluoro-1-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)propan-2-ol?
The canonical SMILES for 1-fluoro-1-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)propan-2-ol is CC(O)C(F)C1(C)CCOc2ccc(F)cc21.
What is the InChIKey of 1-fluoro-1-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)propan-2-ol?
The InChIKey is ZUKSJYHXORKCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O2/c1-8(16)12(15)13(2)5-6-17-11-4-3-9(14)7-10(11)13/h3-4,7-8,12,16H,5-6H2,1-2H3.
What are the key properties of 1-fluoro-1-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)propan-2-ol?
1-fluoro-1-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)propan-2-ol has a molecular weight of 242.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)propan-2-ol is sourced from PubChem (CID 174495597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).