4-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol

C14H26F3NO — CID 55094719

IUPAC4-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESCCCN(CC1CC(CC)CCC1O)CC(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-3-7-18(10-14(15,16)17)9-12-8-11(4-2)5-6-13(12)19/h11-13,19H,3-10H2,1-2H3
InChIKeyBSYOSIKTQTWAKX-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.45
Rot. Bonds6

About 4-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol

4-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (PubChem CID 55094719) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
PubChem CID55094719
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name4-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESCCCN(CC1CC(CC)CCC1O)CC(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-3-7-18(10-14(15,16)17)9-12-8-11(4-2)5-6-13(12)19/h11-13,19H,3-10H2,1-2H3
InChIKeyBSYOSIKTQTWAKX-UHFFFAOYSA-N
XLogP3.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (CID 55094719) is 4-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol is CCCN(CC1CC(CC)CCC1O)CC(F)(F)F.
What is the InChIKey of 4-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is BSYOSIKTQTWAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-3-7-18(10-14(15,16)17)9-12-8-11(4-2)5-6-13(12)19/h11-13,19H,3-10H2,1-2H3.
What are the key properties of 4-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
4-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 281.36 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 55094719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).