1-(3-ethyltriazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol

C11H16F3N3O — CID 114213009

IUPAC1-(3-ethyltriazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCn1nncc1C1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3N3O/c1-2-17-9(7-15-16-17)10(18)5-3-8(4-6-10)11(12,13)14/h7-8,18H,2-6H2,1H3
InChIKeyIHWMGFJARJFPAV-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.24
Rot. Bonds2

About 1-(3-ethyltriazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol

1-(3-ethyltriazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 114213009) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-(3-ethyltriazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-ethyltriazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID114213009
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name1-(3-ethyltriazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCn1nncc1C1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3N3O/c1-2-17-9(7-15-16-17)10(18)5-3-8(4-6-10)11(12,13)14/h7-8,18H,2-6H2,1H3
InChIKeyIHWMGFJARJFPAV-UHFFFAOYSA-N
XLogP2.24
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyltriazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(3-ethyltriazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 114213009) is 1-(3-ethyltriazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-ethyltriazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(3-ethyltriazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol is CCn1nncc1C1(O)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(3-ethyltriazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is IHWMGFJARJFPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-2-17-9(7-15-16-17)10(18)5-3-8(4-6-10)11(12,13)14/h7-8,18H,2-6H2,1H3.
What are the key properties of 1-(3-ethyltriazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
1-(3-ethyltriazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 263.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyltriazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 114213009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).