4-(oxolan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine

C15H26F3NO — CID 105156702

IUPAC4-(oxolan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine
SMILESNC(CCCC1CCCO1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H26F3NO/c16-15(17,18)12-5-1-4-11(10-12)14(19)8-2-6-13-7-3-9-20-13/h11-14H,1-10,19H2
InChIKeyOXTBUOREIKWYRJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.03
Rot. Bonds5

About 4-(oxolan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine

4-(oxolan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine (PubChem CID 105156702) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine.

Molecular Properties

Compound Name4-(oxolan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine
PubChem CID105156702
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name4-(oxolan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine
SMILESNC(CCCC1CCCO1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H26F3NO/c16-15(17,18)12-5-1-4-11(10-12)14(19)8-2-6-13-7-3-9-20-13/h11-14H,1-10,19H2
InChIKeyOXTBUOREIKWYRJ-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine?
The IUPAC name of 4-(oxolan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine (CID 105156702) is 4-(oxolan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine.
What is the SMILES notation for 4-(oxolan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine?
The canonical SMILES for 4-(oxolan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine is NC(CCCC1CCCO1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4-(oxolan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine?
The InChIKey is OXTBUOREIKWYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c16-15(17,18)12-5-1-4-11(10-12)14(19)8-2-6-13-7-3-9-20-13/h11-14H,1-10,19H2.
What are the key properties of 4-(oxolan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine?
4-(oxolan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine has a molecular weight of 293.37 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine is sourced from PubChem (CID 105156702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).