[2,6-bis(trifluoromethyl)phenyl]-cyclopropylmethanol

C12H10F6O — CID 139965741

IUPAC[2,6-bis(trifluoromethyl)phenyl]-cyclopropylmethanol
SMILESOC(c1c(C(F)(F)F)cccc1C(F)(F)F)C1CC1
InChIInChI=1S/C12H10F6O/c13-11(14,15)7-2-1-3-8(12(16,17)18)9(7)10(19)6-4-5-6/h1-3,6,10,19H,4-5H2
InChIKeySSTDRIZGORZELN-UHFFFAOYSA-N
MW284.20 g/mol
LogP4.17
Rot. Bonds2

About [2,6-bis(trifluoromethyl)phenyl]-cyclopropylmethanol

[2,6-bis(trifluoromethyl)phenyl]-cyclopropylmethanol (PubChem CID 139965741) has the molecular formula C12H10F6O and a molecular weight of 284.20 g/mol. Its IUPAC name is [2,6-bis(trifluoromethyl)phenyl]-cyclopropylmethanol.

Molecular Properties

Compound Name[2,6-bis(trifluoromethyl)phenyl]-cyclopropylmethanol
PubChem CID139965741
Molecular FormulaC12H10F6O
Molecular Weight284.20 g/mol
Exact Mass284.06
IUPAC Name[2,6-bis(trifluoromethyl)phenyl]-cyclopropylmethanol
SMILESOC(c1c(C(F)(F)F)cccc1C(F)(F)F)C1CC1
InChIInChI=1S/C12H10F6O/c13-11(14,15)7-2-1-3-8(12(16,17)18)9(7)10(19)6-4-5-6/h1-3,6,10,19H,4-5H2
InChIKeySSTDRIZGORZELN-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2,6-bis(trifluoromethyl)phenyl]-cyclopropylmethanol?
The IUPAC name of [2,6-bis(trifluoromethyl)phenyl]-cyclopropylmethanol (CID 139965741) is [2,6-bis(trifluoromethyl)phenyl]-cyclopropylmethanol.
What is the SMILES notation for [2,6-bis(trifluoromethyl)phenyl]-cyclopropylmethanol?
The canonical SMILES for [2,6-bis(trifluoromethyl)phenyl]-cyclopropylmethanol is OC(c1c(C(F)(F)F)cccc1C(F)(F)F)C1CC1.
What is the InChIKey of [2,6-bis(trifluoromethyl)phenyl]-cyclopropylmethanol?
The InChIKey is SSTDRIZGORZELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6O/c13-11(14,15)7-2-1-3-8(12(16,17)18)9(7)10(19)6-4-5-6/h1-3,6,10,19H,4-5H2.
What are the key properties of [2,6-bis(trifluoromethyl)phenyl]-cyclopropylmethanol?
[2,6-bis(trifluoromethyl)phenyl]-cyclopropylmethanol has a molecular weight of 284.20 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(trifluoromethyl)phenyl]-cyclopropylmethanol is sourced from PubChem (CID 139965741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).