1-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]cyclopropan-1-ol

C9H13F3O — CID 149122610

IUPAC1-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]cyclopropan-1-ol
SMILESCC1(C(F)(F)F)CC1CC1(O)CC1
InChIInChI=1S/C9H13F3O/c1-7(9(10,11)12)4-6(7)5-8(13)2-3-8/h6,13H,2-5H2,1H3
InChIKeyQZXGJSIJGHSABH-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.49
Rot. Bonds2

About 1-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]cyclopropan-1-ol

1-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]cyclopropan-1-ol (PubChem CID 149122610) has the molecular formula C9H13F3O and a molecular weight of 194.20 g/mol. Its IUPAC name is 1-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]cyclopropan-1-ol
PubChem CID149122610
Molecular FormulaC9H13F3O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name1-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]cyclopropan-1-ol
SMILESCC1(C(F)(F)F)CC1CC1(O)CC1
InChIInChI=1S/C9H13F3O/c1-7(9(10,11)12)4-6(7)5-8(13)2-3-8/h6,13H,2-5H2,1H3
InChIKeyQZXGJSIJGHSABH-UHFFFAOYSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]cyclopropan-1-ol (CID 149122610) is 1-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]cyclopropan-1-ol is CC1(C(F)(F)F)CC1CC1(O)CC1.
What is the InChIKey of 1-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]cyclopropan-1-ol?
The InChIKey is QZXGJSIJGHSABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O/c1-7(9(10,11)12)4-6(7)5-8(13)2-3-8/h6,13H,2-5H2,1H3.
What are the key properties of 1-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]cyclopropan-1-ol?
1-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]cyclopropan-1-ol has a molecular weight of 194.20 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 149122610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).