1-[3-(oxolan-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine

C14H24F3NO — CID 65166893

IUPAC1-[3-(oxolan-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(CCCC2CCCO2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)11-5-8-13(18,9-6-11)7-1-3-12-4-2-10-19-12/h11-12H,1-10,18H2
InChIKeyZQRZUWIOFNBRSP-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.79
Rot. Bonds4

About 1-[3-(oxolan-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine

1-[3-(oxolan-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 65166893) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-[3-(oxolan-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-(oxolan-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID65166893
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name1-[3-(oxolan-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(CCCC2CCCO2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)11-5-8-13(18,9-6-11)7-1-3-12-4-2-10-19-12/h11-12H,1-10,18H2
InChIKeyZQRZUWIOFNBRSP-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-[3-(oxolan-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 65166893) is 1-[3-(oxolan-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-[3-(oxolan-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-[3-(oxolan-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine is NC1(CCCC2CCCO2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[3-(oxolan-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is ZQRZUWIOFNBRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c15-14(16,17)11-5-8-13(18,9-6-11)7-1-3-12-4-2-10-19-12/h11-12H,1-10,18H2.
What are the key properties of 1-[3-(oxolan-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine?
1-[3-(oxolan-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 65166893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).