N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

C12H20F3NO — CID 64753822

IUPACN-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCC2CCCO2)CC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)9-3-5-10(6-4-9)16-8-11-2-1-7-17-11/h9-11,16H,1-8H2
InChIKeyKASFHXQPCZMDTM-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.88
Rot. Bonds3

About N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64753822) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64753822
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC NameN-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCC2CCCO2)CC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)9-3-5-10(6-4-9)16-8-11-2-1-7-17-11/h9-11,16H,1-8H2
InChIKeyKASFHXQPCZMDTM-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64753822) is N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCC(NCC2CCCO2)CC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is KASFHXQPCZMDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)9-3-5-10(6-4-9)16-8-11-2-1-7-17-11/h9-11,16H,1-8H2.
What are the key properties of N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 251.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64753822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).