N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine

C14H24F3NO — CID 105147549

IUPACN-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(C1CCOC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H24F3NO/c1-2-18-13(10-7-8-19-9-10)11-5-3-4-6-12(11)14(15,16)17/h10-13,18H,2-9H2,1H3
InChIKeyULFRYUZDJWBZAJ-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.37
Rot. Bonds4

About N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine

N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine (PubChem CID 105147549) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
PubChem CID105147549
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(C1CCOC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H24F3NO/c1-2-18-13(10-7-8-19-9-10)11-5-3-4-6-12(11)14(15,16)17/h10-13,18H,2-9H2,1H3
InChIKeyULFRYUZDJWBZAJ-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine (CID 105147549) is N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine is CCNC(C1CCOC1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is ULFRYUZDJWBZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-2-18-13(10-7-8-19-9-10)11-5-3-4-6-12(11)14(15,16)17/h10-13,18H,2-9H2,1H3.
What are the key properties of N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 279.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 105147549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).