1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine

C11H18F3NO — CID 64754247

IUPAC1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(C2CCOC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)8-1-4-10(15,5-2-8)9-3-6-16-7-9/h8-9H,1-7,15H2
InChIKeyMIZHUUQHIHBLFT-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.47
Rot. Bonds1

About 1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine

1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64754247) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64754247
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(C2CCOC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)8-1-4-10(15,5-2-8)9-3-6-16-7-9/h8-9H,1-7,15H2
InChIKeyMIZHUUQHIHBLFT-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64754247) is 1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine is NC1(C2CCOC2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is MIZHUUQHIHBLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)8-1-4-10(15,5-2-8)9-3-6-16-7-9/h8-9H,1-7,15H2.
What are the key properties of 1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 237.26 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64754247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).