2-propyl-1-(trifluoromethyl)cyclohept-2-en-1-ol

C11H17F3O — CID 123298693

IUPAC2-propyl-1-(trifluoromethyl)cyclohept-2-en-1-ol
SMILESCCCC1=CCCCCC1(O)C(F)(F)F
InChIInChI=1S/C11H17F3O/c1-2-6-9-7-4-3-5-8-10(9,15)11(12,13)14/h7,15H,2-6,8H2,1H3
InChIKeyTWIRSJSYQLXTSK-UHFFFAOYSA-N
MW222.25 g/mol
LogP3.58
Rot. Bonds2

About 2-propyl-1-(trifluoromethyl)cyclohept-2-en-1-ol

2-propyl-1-(trifluoromethyl)cyclohept-2-en-1-ol (PubChem CID 123298693) has the molecular formula C11H17F3O and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-propyl-1-(trifluoromethyl)cyclohept-2-en-1-ol.

Molecular Properties

Compound Name2-propyl-1-(trifluoromethyl)cyclohept-2-en-1-ol
PubChem CID123298693
Molecular FormulaC11H17F3O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name2-propyl-1-(trifluoromethyl)cyclohept-2-en-1-ol
SMILESCCCC1=CCCCCC1(O)C(F)(F)F
InChIInChI=1S/C11H17F3O/c1-2-6-9-7-4-3-5-8-10(9,15)11(12,13)14/h7,15H,2-6,8H2,1H3
InChIKeyTWIRSJSYQLXTSK-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.58
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 2-propyl-1-(trifluoromethyl)cyclohept-2-en-1-ol?
The IUPAC name of 2-propyl-1-(trifluoromethyl)cyclohept-2-en-1-ol (CID 123298693) is 2-propyl-1-(trifluoromethyl)cyclohept-2-en-1-ol.
What is the SMILES notation for 2-propyl-1-(trifluoromethyl)cyclohept-2-en-1-ol?
The canonical SMILES for 2-propyl-1-(trifluoromethyl)cyclohept-2-en-1-ol is CCCC1=CCCCCC1(O)C(F)(F)F.
What is the InChIKey of 2-propyl-1-(trifluoromethyl)cyclohept-2-en-1-ol?
The InChIKey is TWIRSJSYQLXTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O/c1-2-6-9-7-4-3-5-8-10(9,15)11(12,13)14/h7,15H,2-6,8H2,1H3.
What are the key properties of 2-propyl-1-(trifluoromethyl)cyclohept-2-en-1-ol?
2-propyl-1-(trifluoromethyl)cyclohept-2-en-1-ol has a molecular weight of 222.25 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-(trifluoromethyl)cyclohept-2-en-1-ol is sourced from PubChem (CID 123298693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).