2-[4-(2-fluoropropan-2-yl)phenyl]propan-1-ol

C12H17FO — CID 117286451

IUPAC2-[4-(2-fluoropropan-2-yl)phenyl]propan-1-ol
SMILESCC(CO)c1ccc(C(C)(C)F)cc1
InChIInChI=1S/C12H17FO/c1-9(8-14)10-4-6-11(7-5-10)12(2,3)13/h4-7,9,14H,8H2,1-3H3
InChIKeyJYRYZVXPZRBQCW-UHFFFAOYSA-N
MW196.26 g/mol
LogP2.99
Rot. Bonds3

About 2-[4-(2-fluoropropan-2-yl)phenyl]propan-1-ol

2-[4-(2-fluoropropan-2-yl)phenyl]propan-1-ol (PubChem CID 117286451) has the molecular formula C12H17FO and a molecular weight of 196.26 g/mol. Its IUPAC name is 2-[4-(2-fluoropropan-2-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[4-(2-fluoropropan-2-yl)phenyl]propan-1-ol
PubChem CID117286451
Molecular FormulaC12H17FO
Molecular Weight196.26 g/mol
Exact Mass196.13
IUPAC Name2-[4-(2-fluoropropan-2-yl)phenyl]propan-1-ol
SMILESCC(CO)c1ccc(C(C)(C)F)cc1
InChIInChI=1S/C12H17FO/c1-9(8-14)10-4-6-11(7-5-10)12(2,3)13/h4-7,9,14H,8H2,1-3H3
InChIKeyJYRYZVXPZRBQCW-UHFFFAOYSA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoropropan-2-yl)phenyl]propan-1-ol?
The IUPAC name of 2-[4-(2-fluoropropan-2-yl)phenyl]propan-1-ol (CID 117286451) is 2-[4-(2-fluoropropan-2-yl)phenyl]propan-1-ol.
What is the SMILES notation for 2-[4-(2-fluoropropan-2-yl)phenyl]propan-1-ol?
The canonical SMILES for 2-[4-(2-fluoropropan-2-yl)phenyl]propan-1-ol is CC(CO)c1ccc(C(C)(C)F)cc1.
What is the InChIKey of 2-[4-(2-fluoropropan-2-yl)phenyl]propan-1-ol?
The InChIKey is JYRYZVXPZRBQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-9(8-14)10-4-6-11(7-5-10)12(2,3)13/h4-7,9,14H,8H2,1-3H3.
What are the key properties of 2-[4-(2-fluoropropan-2-yl)phenyl]propan-1-ol?
2-[4-(2-fluoropropan-2-yl)phenyl]propan-1-ol has a molecular weight of 196.26 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoropropan-2-yl)phenyl]propan-1-ol is sourced from PubChem (CID 117286451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).