2-methyl-2-(trifluoromethyl)cyclopentane-1,3-diol

C7H11F3O2 — CID 146390827

IUPAC2-methyl-2-(trifluoromethyl)cyclopentane-1,3-diol
SMILESCC1(C(F)(F)F)C(O)CCC1O
InChIInChI=1S/C7H11F3O2/c1-6(7(8,9)10)4(11)2-3-5(6)12/h4-5,11-12H,2-3H2,1H3
InChIKeyNBNFNOIIPWROPR-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.07
Rot. Bonds

About 2-methyl-2-(trifluoromethyl)cyclopentane-1,3-diol

2-methyl-2-(trifluoromethyl)cyclopentane-1,3-diol (PubChem CID 146390827) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 2-methyl-2-(trifluoromethyl)cyclopentane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-(trifluoromethyl)cyclopentane-1,3-diol
PubChem CID146390827
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name2-methyl-2-(trifluoromethyl)cyclopentane-1,3-diol
SMILESCC1(C(F)(F)F)C(O)CCC1O
InChIInChI=1S/C7H11F3O2/c1-6(7(8,9)10)4(11)2-3-5(6)12/h4-5,11-12H,2-3H2,1H3
InChIKeyNBNFNOIIPWROPR-UHFFFAOYSA-N
XLogP1.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(trifluoromethyl)cyclopentane-1,3-diol?
The IUPAC name of 2-methyl-2-(trifluoromethyl)cyclopentane-1,3-diol (CID 146390827) is 2-methyl-2-(trifluoromethyl)cyclopentane-1,3-diol.
What is the SMILES notation for 2-methyl-2-(trifluoromethyl)cyclopentane-1,3-diol?
The canonical SMILES for 2-methyl-2-(trifluoromethyl)cyclopentane-1,3-diol is CC1(C(F)(F)F)C(O)CCC1O.
What is the InChIKey of 2-methyl-2-(trifluoromethyl)cyclopentane-1,3-diol?
The InChIKey is NBNFNOIIPWROPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2/c1-6(7(8,9)10)4(11)2-3-5(6)12/h4-5,11-12H,2-3H2,1H3.
What are the key properties of 2-methyl-2-(trifluoromethyl)cyclopentane-1,3-diol?
2-methyl-2-(trifluoromethyl)cyclopentane-1,3-diol has a molecular weight of 184.16 g/mol, XLogP of 1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(trifluoromethyl)cyclopentane-1,3-diol is sourced from PubChem (CID 146390827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).