1-(1-methylcyclopropyl)-2-(trifluoromethyl)prop-2-en-1-ol

C8H11F3O — CID 130565135

IUPAC1-(1-methylcyclopropyl)-2-(trifluoromethyl)prop-2-en-1-ol
SMILESC=C(C(O)C1(C)CC1)C(F)(F)F
InChIInChI=1S/C8H11F3O/c1-5(8(9,10)11)6(12)7(2)3-4-7/h6,12H,1,3-4H2,2H3
InChIKeyXDFHJMBSQKXXBI-UHFFFAOYSA-N
MW180.17 g/mol
LogP2.27
Rot. Bonds2

About 1-(1-methylcyclopropyl)-2-(trifluoromethyl)prop-2-en-1-ol

1-(1-methylcyclopropyl)-2-(trifluoromethyl)prop-2-en-1-ol (PubChem CID 130565135) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)-2-(trifluoromethyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)-2-(trifluoromethyl)prop-2-en-1-ol
PubChem CID130565135
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name1-(1-methylcyclopropyl)-2-(trifluoromethyl)prop-2-en-1-ol
SMILESC=C(C(O)C1(C)CC1)C(F)(F)F
InChIInChI=1S/C8H11F3O/c1-5(8(9,10)11)6(12)7(2)3-4-7/h6,12H,1,3-4H2,2H3
InChIKeyXDFHJMBSQKXXBI-UHFFFAOYSA-N
XLogP2.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopropyl)-2-(trifluoromethyl)prop-2-en-1-ol?
The IUPAC name of 1-(1-methylcyclopropyl)-2-(trifluoromethyl)prop-2-en-1-ol (CID 130565135) is 1-(1-methylcyclopropyl)-2-(trifluoromethyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(1-methylcyclopropyl)-2-(trifluoromethyl)prop-2-en-1-ol?
The canonical SMILES for 1-(1-methylcyclopropyl)-2-(trifluoromethyl)prop-2-en-1-ol is C=C(C(O)C1(C)CC1)C(F)(F)F.
What is the InChIKey of 1-(1-methylcyclopropyl)-2-(trifluoromethyl)prop-2-en-1-ol?
The InChIKey is XDFHJMBSQKXXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O/c1-5(8(9,10)11)6(12)7(2)3-4-7/h6,12H,1,3-4H2,2H3.
What are the key properties of 1-(1-methylcyclopropyl)-2-(trifluoromethyl)prop-2-en-1-ol?
1-(1-methylcyclopropyl)-2-(trifluoromethyl)prop-2-en-1-ol has a molecular weight of 180.17 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)-2-(trifluoromethyl)prop-2-en-1-ol is sourced from PubChem (CID 130565135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).