2-[4-(difluoromethyl)-3-fluorophenyl]propan-2-ol

C10H11F3O — CID 84672129

IUPAC2-[4-(difluoromethyl)-3-fluorophenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(C(F)F)c(F)c1
InChIInChI=1S/C10H11F3O/c1-10(2,14)6-3-4-7(9(12)13)8(11)5-6/h3-5,9,14H,1-2H3
InChIKeyQKJMNCCCMUAZEP-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.99
Rot. Bonds2

About 2-[4-(difluoromethyl)-3-fluorophenyl]propan-2-ol

2-[4-(difluoromethyl)-3-fluorophenyl]propan-2-ol (PubChem CID 84672129) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-3-fluorophenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-3-fluorophenyl]propan-2-ol
PubChem CID84672129
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name2-[4-(difluoromethyl)-3-fluorophenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(C(F)F)c(F)c1
InChIInChI=1S/C10H11F3O/c1-10(2,14)6-3-4-7(9(12)13)8(11)5-6/h3-5,9,14H,1-2H3
InChIKeyQKJMNCCCMUAZEP-UHFFFAOYSA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
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-(difluoromethyl)-3-fluorophenyl]propan-2-ol?
The IUPAC name of 2-[4-(difluoromethyl)-3-fluorophenyl]propan-2-ol (CID 84672129) is 2-[4-(difluoromethyl)-3-fluorophenyl]propan-2-ol.
What is the SMILES notation for 2-[4-(difluoromethyl)-3-fluorophenyl]propan-2-ol?
The canonical SMILES for 2-[4-(difluoromethyl)-3-fluorophenyl]propan-2-ol is CC(C)(O)c1ccc(C(F)F)c(F)c1.
What is the InChIKey of 2-[4-(difluoromethyl)-3-fluorophenyl]propan-2-ol?
The InChIKey is QKJMNCCCMUAZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c1-10(2,14)6-3-4-7(9(12)13)8(11)5-6/h3-5,9,14H,1-2H3.
What are the key properties of 2-[4-(difluoromethyl)-3-fluorophenyl]propan-2-ol?
2-[4-(difluoromethyl)-3-fluorophenyl]propan-2-ol has a molecular weight of 204.19 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-3-fluorophenyl]propan-2-ol is sourced from PubChem (CID 84672129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).