N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

C13H20F3NO — CID 55030786

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C13H20F3NO/c14-13(15,16)10-4-6-11(7-5-10)17-9-12-3-1-2-8-18-12/h2,8,10-12,17H,1,3-7,9H2
InChIKeyOXFRUNIOYSXOPF-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.39
Rot. Bonds3

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 55030786) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID55030786
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C13H20F3NO/c14-13(15,16)10-4-6-11(7-5-10)17-9-12-3-1-2-8-18-12/h2,8,10-12,17H,1,3-7,9H2
InChIKeyOXFRUNIOYSXOPF-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 55030786) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCC(NCC2CCC=CO2)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is OXFRUNIOYSXOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO/c14-13(15,16)10-4-6-11(7-5-10)17-9-12-3-1-2-8-18-12/h2,8,10-12,17H,1,3-7,9H2.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 263.30 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 55030786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).