3-[2-(2,2-difluoroethyl)phenyl]propan-1-ol

C11H14F2O — CID 117289348

IUPAC3-[2-(2,2-difluoroethyl)phenyl]propan-1-ol
SMILESOCCCc1ccccc1CC(F)F
InChIInChI=1S/C11H14F2O/c12-11(13)8-10-5-2-1-4-9(10)6-3-7-14/h1-2,4-5,11,14H,3,6-8H2
InChIKeyQDAYHRMRHHMPPS-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.42
Rot. Bonds5

About 3-[2-(2,2-difluoroethyl)phenyl]propan-1-ol

3-[2-(2,2-difluoroethyl)phenyl]propan-1-ol (PubChem CID 117289348) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 3-[2-(2,2-difluoroethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(2,2-difluoroethyl)phenyl]propan-1-ol
PubChem CID117289348
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name3-[2-(2,2-difluoroethyl)phenyl]propan-1-ol
SMILESOCCCc1ccccc1CC(F)F
InChIInChI=1S/C11H14F2O/c12-11(13)8-10-5-2-1-4-9(10)6-3-7-14/h1-2,4-5,11,14H,3,6-8H2
InChIKeyQDAYHRMRHHMPPS-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-difluoroethyl)phenyl]propan-1-ol?
The IUPAC name of 3-[2-(2,2-difluoroethyl)phenyl]propan-1-ol (CID 117289348) is 3-[2-(2,2-difluoroethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[2-(2,2-difluoroethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[2-(2,2-difluoroethyl)phenyl]propan-1-ol is OCCCc1ccccc1CC(F)F.
What is the InChIKey of 3-[2-(2,2-difluoroethyl)phenyl]propan-1-ol?
The InChIKey is QDAYHRMRHHMPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c12-11(13)8-10-5-2-1-4-9(10)6-3-7-14/h1-2,4-5,11,14H,3,6-8H2.
What are the key properties of 3-[2-(2,2-difluoroethyl)phenyl]propan-1-ol?
3-[2-(2,2-difluoroethyl)phenyl]propan-1-ol has a molecular weight of 200.23 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-difluoroethyl)phenyl]propan-1-ol is sourced from PubChem (CID 117289348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).