1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

C12H20F3NO — CID 64756080

IUPAC1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(CC2CCCO2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)9-3-5-11(16,6-4-9)8-10-2-1-7-17-10/h9-10H,1-8,16H2
InChIKeyGEQOGVLWGJNLIW-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.01
Rot. Bonds2

About 1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64756080) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64756080
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(CC2CCCO2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)9-3-5-11(16,6-4-9)8-10-2-1-7-17-10/h9-10H,1-8,16H2
InChIKeyGEQOGVLWGJNLIW-UHFFFAOYSA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64756080) is 1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is NC1(CC2CCCO2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is GEQOGVLWGJNLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)9-3-5-11(16,6-4-9)8-10-2-1-7-17-10/h9-10H,1-8,16H2.
What are the key properties of 1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 251.29 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64756080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).