1-pyrrolidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol

C11H18F3NO — CID 64754302

IUPAC1-pyrrolidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(C2CCCN2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)8-3-5-10(16,6-4-8)9-2-1-7-15-9/h8-9,15-16H,1-7H2
InChIKeyAHBOFBKRYNOOQY-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.22
Rot. Bonds1

About 1-pyrrolidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol

1-pyrrolidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64754302) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-pyrrolidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-pyrrolidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64754302
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name1-pyrrolidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(C2CCCN2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)8-3-5-10(16,6-4-8)9-2-1-7-15-9/h8-9,15-16H,1-7H2
InChIKeyAHBOFBKRYNOOQY-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-pyrrolidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol (CID 64754302) is 1-pyrrolidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-pyrrolidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-pyrrolidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol is OC1(C2CCCN2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-pyrrolidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is AHBOFBKRYNOOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)8-3-5-10(16,6-4-8)9-2-1-7-15-9/h8-9,15-16H,1-7H2.
What are the key properties of 1-pyrrolidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol?
1-pyrrolidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 237.26 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64754302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).