3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol

C11H10F6O — CID 155925897

IUPAC3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol
SMILESOCCCc1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C11H10F6O/c12-10(13,14)8-3-4-9(11(15,16)17)7(6-8)2-1-5-18/h3-4,6,18H,1-2,5H2
InChIKeyCDQPNKRVYWWPGT-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.65
Rot. Bonds3

About 3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol

3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 155925897) has the molecular formula C11H10F6O and a molecular weight of 272.19 g/mol. Its IUPAC name is 3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol
PubChem CID155925897
Molecular FormulaC11H10F6O
Molecular Weight272.19 g/mol
Exact Mass272.06
IUPAC Name3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol
SMILESOCCCc1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C11H10F6O/c12-10(13,14)8-3-4-9(11(15,16)17)7(6-8)2-1-5-18/h3-4,6,18H,1-2,5H2
InChIKeyCDQPNKRVYWWPGT-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol (CID 155925897) is 3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol is OCCCc1cc(C(F)(F)F)ccc1C(F)(F)F.
What is the InChIKey of 3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is CDQPNKRVYWWPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6O/c12-10(13,14)8-3-4-9(11(15,16)17)7(6-8)2-1-5-18/h3-4,6,18H,1-2,5H2.
What are the key properties of 3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol?
3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 272.19 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 155925897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).