2-methyl-3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol

C13H22F3NO2 — CID 107270594

IUPAC2-methyl-3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO2/c1-9-12(18,6-7-19-9)8-17-11-4-2-10(3-5-11)13(14,15)16/h9-11,17-18H,2-8H2,1H3
InChIKeyDIAQRKCGZCTCFS-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.24
Rot. Bonds3

About 2-methyl-3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol

2-methyl-3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol (PubChem CID 107270594) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-methyl-3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol
PubChem CID107270594
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name2-methyl-3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO2/c1-9-12(18,6-7-19-9)8-17-11-4-2-10(3-5-11)13(14,15)16/h9-11,17-18H,2-8H2,1H3
InChIKeyDIAQRKCGZCTCFS-UHFFFAOYSA-N
XLogP2.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol with MolForge

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Related Compounds

1-Methoxy-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 64756289
4-[[[4-(Trifluoromethyl)cyclohexyl]amino]methyl]oxan-4-ol
CID 81130936
3-[[[3-(Trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol
CID 102609756
N-[(3-methoxyoxolan-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 104759686
N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104759740
N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 104759803
4-Methoxy-2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 104844736
3-[(6,6,6-Trifluorohexan-2-ylamino)methyl]oxolan-3-ol
CID 104925234
3-[[[2-(Trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol
CID 106100058
3-[(1,1-Difluoropropan-2-ylamino)methyl]-2-methyloxolan-3-ol
CID 106100146
2-Methyl-3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol
CID 106100269
2-Methyl-3-[(4,4,4-trifluorobutylamino)methyl]oxolan-3-ol
CID 106101017

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol (CID 107270594) is 2-methyl-3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol is CC1OCCC1(O)CNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol?
The InChIKey is DIAQRKCGZCTCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-9-12(18,6-7-19-9)8-17-11-4-2-10(3-5-11)13(14,15)16/h9-11,17-18H,2-8H2,1H3.
What are the key properties of 2-methyl-3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol?
2-methyl-3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol has a molecular weight of 281.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 107270594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).