N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

C13H22F3NO2 — CID 104759740

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOC1(CNC2CCC(C(F)(F)F)CC2)CCOC1
InChIInChI=1S/C13H22F3NO2/c1-18-12(6-7-19-9-12)8-17-11-4-2-10(3-5-11)13(14,15)16/h10-11,17H,2-9H2,1H3
InChIKeyJZXZYCPLMFHACF-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.50
Rot. Bonds4

About N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 104759740) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID104759740
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOC1(CNC2CCC(C(F)(F)F)CC2)CCOC1
InChIInChI=1S/C13H22F3NO2/c1-18-12(6-7-19-9-12)8-17-11-4-2-10(3-5-11)13(14,15)16/h10-11,17H,2-9H2,1H3
InChIKeyJZXZYCPLMFHACF-UHFFFAOYSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 104759740) is N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is COC1(CNC2CCC(C(F)(F)F)CC2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is JZXZYCPLMFHACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-18-12(6-7-19-9-12)8-17-11-4-2-10(3-5-11)13(14,15)16/h10-11,17H,2-9H2,1H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 281.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 104759740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).