2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol

C6H9F3O — CID 163654161

IUPAC2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol
SMILESCC1C(C)C1(O)C(F)(F)F
InChIInChI=1S/C6H9F3O/c1-3-4(2)5(3,10)6(7,8)9/h3-4,10H,1-2H3
InChIKeyIOSVDMJTVHHIEL-UHFFFAOYSA-N
MW154.13 g/mol
LogP1.57
Rot. Bonds

About 2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol

2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol (PubChem CID 163654161) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol
PubChem CID163654161
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol
SMILESCC1C(C)C1(O)C(F)(F)F
InChIInChI=1S/C6H9F3O/c1-3-4(2)5(3,10)6(7,8)9/h3-4,10H,1-2H3
InChIKeyIOSVDMJTVHHIEL-UHFFFAOYSA-N
XLogP1.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol?
The IUPAC name of 2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol (CID 163654161) is 2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol.
What is the SMILES notation for 2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol?
The canonical SMILES for 2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol is CC1C(C)C1(O)C(F)(F)F.
What is the InChIKey of 2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol?
The InChIKey is IOSVDMJTVHHIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-3-4(2)5(3,10)6(7,8)9/h3-4,10H,1-2H3.
What are the key properties of 2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol?
2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol has a molecular weight of 154.13 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol is sourced from PubChem (CID 163654161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).