3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-amine

C12H22F3NO2 — CID 175494949

IUPAC3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-amine
SMILESCC(OCC1CCCCC1)C(N)COC(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-9(11(16)8-18-12(13,14)15)17-7-10-5-3-2-4-6-10/h9-11H,2-8,16H2,1H3
InChIKeyUNLWSUNIQGTGQR-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.84
Rot. Bonds6

About 3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-amine

3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-amine (PubChem CID 175494949) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-amine.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-amine
PubChem CID175494949
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-amine
SMILESCC(OCC1CCCCC1)C(N)COC(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-9(11(16)8-18-12(13,14)15)17-7-10-5-3-2-4-6-10/h9-11H,2-8,16H2,1H3
InChIKeyUNLWSUNIQGTGQR-UHFFFAOYSA-N
XLogP2.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,4-Difluorocyclohexyl)-2-ethoxyethan-1-amine hydrochloride
CID 155821550
1-(3-Fluoro-4-methyloxan-2-yl)ethanamine
CID 142537579
(2R,3R)-1-(4,4-difluorocyclohexyl)oxy-3-(oxan-4-ylmethoxy)butan-2-amine
CID 164604612
1-(Cyclohexylmethoxy)-3-(4,4-difluorocyclohexyl)oxypropan-2-amine
CID 164604618
(2R,3R)-3-[1-(4,4-difluorocyclohexyl)ethoxy]-1-(4,4-difluorocyclohexyl)oxybutan-2-amine
CID 164604630
(2R,3R)-3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-amine
CID 164604710
(2R,3R)-3-[(4,4-difluorocyclohexyl)methoxy]-1-(oxan-4-yloxy)butan-2-amine
CID 164604989
2-[3-(1,1-Difluoroethyl)cyclohexyl]oxyethanamine
CID 170263462
(2R,3R)-3-(cyclohexylmethoxy)-1-(4,4-difluorocyclohexyl)oxybutan-2-amine
CID 171593803
(2R,3R)-3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluorocyclohexyl)oxybutan-2-amine
CID 171594028
(3S,4R)-3-amino-4-[(4,4-difluorocyclohexyl)methoxy]-2-methylpentan-2-ol
CID 171594276
(9R,10R)-3,3-difluoro-9-methyl-8,12-dioxaspiro[5.10]hexadecan-10-amine
CID 178708409

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-amine?
The IUPAC name of 3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-amine (CID 175494949) is 3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-amine.
What is the SMILES notation for 3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-amine?
The canonical SMILES for 3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-amine is CC(OCC1CCCCC1)C(N)COC(F)(F)F.
What is the InChIKey of 3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-amine?
The InChIKey is UNLWSUNIQGTGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-9(11(16)8-18-12(13,14)15)17-7-10-5-3-2-4-6-10/h9-11H,2-8,16H2,1H3.
What are the key properties of 3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-amine?
3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-amine has a molecular weight of 269.31 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-amine is sourced from PubChem (CID 175494949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).