1-cyclohex-3-en-1-yl-2-(trifluoromethyl)prop-2-en-1-ol

C10H13F3O — CID 130564616

IUPAC1-cyclohex-3-en-1-yl-2-(trifluoromethyl)prop-2-en-1-ol
SMILESC=C(C(O)C1CC=CCC1)C(F)(F)F
InChIInChI=1S/C10H13F3O/c1-7(10(11,12)13)9(14)8-5-3-2-4-6-8/h2-3,8-9,14H,1,4-6H2
InChIKeyHXEJOGQUZKSNPC-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.82
Rot. Bonds2

About 1-cyclohex-3-en-1-yl-2-(trifluoromethyl)prop-2-en-1-ol

1-cyclohex-3-en-1-yl-2-(trifluoromethyl)prop-2-en-1-ol (PubChem CID 130564616) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-2-(trifluoromethyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-2-(trifluoromethyl)prop-2-en-1-ol
PubChem CID130564616
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name1-cyclohex-3-en-1-yl-2-(trifluoromethyl)prop-2-en-1-ol
SMILESC=C(C(O)C1CC=CCC1)C(F)(F)F
InChIInChI=1S/C10H13F3O/c1-7(10(11,12)13)9(14)8-5-3-2-4-6-8/h2-3,8-9,14H,1,4-6H2
InChIKeyHXEJOGQUZKSNPC-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.82
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-cyclohex-3-en-1-yl-2-(trifluoromethyl)prop-2-en-1-ol?
The IUPAC name of 1-cyclohex-3-en-1-yl-2-(trifluoromethyl)prop-2-en-1-ol (CID 130564616) is 1-cyclohex-3-en-1-yl-2-(trifluoromethyl)prop-2-en-1-ol.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-2-(trifluoromethyl)prop-2-en-1-ol?
The canonical SMILES for 1-cyclohex-3-en-1-yl-2-(trifluoromethyl)prop-2-en-1-ol is C=C(C(O)C1CC=CCC1)C(F)(F)F.
What is the InChIKey of 1-cyclohex-3-en-1-yl-2-(trifluoromethyl)prop-2-en-1-ol?
The InChIKey is HXEJOGQUZKSNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O/c1-7(10(11,12)13)9(14)8-5-3-2-4-6-8/h2-3,8-9,14H,1,4-6H2.
What are the key properties of 1-cyclohex-3-en-1-yl-2-(trifluoromethyl)prop-2-en-1-ol?
1-cyclohex-3-en-1-yl-2-(trifluoromethyl)prop-2-en-1-ol has a molecular weight of 206.21 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-2-(trifluoromethyl)prop-2-en-1-ol is sourced from PubChem (CID 130564616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).