2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropan-1-amine

C11H20F3NO — CID 103366795

IUPAC2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(COCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c12-11(13,14)10(6-15)8-16-7-9-4-2-1-3-5-9/h9-10H,1-8,15H2
InChIKeyBLHWVKJPMFBTNP-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.72
Rot. Bonds5

About 2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropan-1-amine

2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 103366795) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropan-1-amine
PubChem CID103366795
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(COCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c12-11(13,14)10(6-15)8-16-7-9-4-2-1-3-5-9/h9-10H,1-8,15H2
InChIKeyBLHWVKJPMFBTNP-UHFFFAOYSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Cyclohexylmethoxy)propan-1-amine
CID 57248919
[2-(Trifluoromethoxy)cyclohexyl]methanamine
CID 140478902
[2-(2,2,2-Trifluoroethoxy)cyclohexyl]methanamine
CID 43428741
[2-(2,2,3,3-Tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428924
3,3,3-Trifluoro-2-(2-methylcyclohexyl)oxypropan-1-amine
CID 43752925
4,4,4-Trifluoro-3-(4-methylcyclohexyl)oxybutan-1-amine
CID 43753305
3-(2-Ethylcyclohexyl)oxy-4,4,4-trifluorobutan-1-amine
CID 43753306
4,4,4-Trifluoro-3-(2-methylcyclohexyl)oxybutan-1-amine
CID 43753308
3-(2-Ethylhexoxy)-4,4,4-trifluorobutan-1-amine
CID 43753333
4,4,4-Trifluoro-3-(3-methylcyclohexyl)oxybutan-1-amine
CID 43753339
2-(Cyclohexylmethoxy)-3,3,3-trifluoropropan-1-amine
CID 62382185
3-(Cyclohexylmethoxy)-4,4,4-trifluorobutan-1-amine
CID 62383874

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropan-1-amine (CID 103366795) is 2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropan-1-amine is NCC(COCC1CCCCC1)C(F)(F)F.
What is the InChIKey of 2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is BLHWVKJPMFBTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c12-11(13,14)10(6-15)8-16-7-9-4-2-1-3-5-9/h9-10H,1-8,15H2.
What are the key properties of 2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropan-1-amine?
2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103366795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).