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

C14H24F3NO — CID 105156916

IUPAC3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESNC(CCC1CCCO1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H24F3NO/c15-14(16,17)12-6-2-1-5-11(12)13(18)8-7-10-4-3-9-19-10/h10-13H,1-9,18H2
InChIKeyQCRVGKCBPXJXOZ-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.64
Rot. Bonds4

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

3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine (PubChem CID 105156916) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine.

Molecular Properties

Compound Name3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
PubChem CID105156916
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESNC(CCC1CCCO1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H24F3NO/c15-14(16,17)12-6-2-1-5-11(12)13(18)8-7-10-4-3-9-19-10/h10-13H,1-9,18H2
InChIKeyQCRVGKCBPXJXOZ-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine?
The IUPAC name of 3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine (CID 105156916) is 3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine.
What is the SMILES notation for 3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine?
The canonical SMILES for 3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine is NC(CCC1CCCO1)C1CCCCC1C(F)(F)F.
What is the InChIKey of 3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine?
The InChIKey is QCRVGKCBPXJXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c15-14(16,17)12-6-2-1-5-11(12)13(18)8-7-10-4-3-9-19-10/h10-13H,1-9,18H2.
What are the key properties of 3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine?
3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine is sourced from PubChem (CID 105156916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).