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

C11H8F6O — CID 2804380

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]cyclopropan-1-ol
SMILESOC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C11H8F6O/c12-10(13,14)7-3-6(9(18)1-2-9)4-8(5-7)11(15,16)17/h3-5,18H,1-2H2
InChIKeyUAHDNTGJXXHAGF-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.71
Rot. Bonds1

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

1-[3,5-bis(trifluoromethyl)phenyl]cyclopropan-1-ol (PubChem CID 2804380) has the molecular formula C11H8F6O and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]cyclopropan-1-ol
PubChem CID2804380
Molecular FormulaC11H8F6O
Molecular Weight270.17 g/mol
Exact Mass270.05
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]cyclopropan-1-ol
SMILESOC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C11H8F6O/c12-10(13,14)7-3-6(9(18)1-2-9)4-8(5-7)11(15,16)17/h3-5,18H,1-2H2
InChIKeyUAHDNTGJXXHAGF-UHFFFAOYSA-N
XLogP3.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]cyclopropan-1-ol (CID 2804380) is 1-[3,5-bis(trifluoromethyl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]cyclopropan-1-ol is OC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]cyclopropan-1-ol?
The InChIKey is UAHDNTGJXXHAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6O/c12-10(13,14)7-3-6(9(18)1-2-9)4-8(5-7)11(15,16)17/h3-5,18H,1-2H2.
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]cyclopropan-1-ol?
1-[3,5-bis(trifluoromethyl)phenyl]cyclopropan-1-ol has a molecular weight of 270.17 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 2804380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).