1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-amine

C14H26F3NO — CID 116768604

IUPAC1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-amine
SMILESCCOC1(C(N)CCC(F)(F)F)CCC(C)(C)CC1
InChIInChI=1S/C14H26F3NO/c1-4-19-13(9-7-12(2,3)8-10-13)11(18)5-6-14(15,16)17/h11H,4-10,18H2,1-3H3
InChIKeyCNCFAAZBIFGHSN-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.03
Rot. Bonds5

About 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-amine

1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-amine (PubChem CID 116768604) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-amine
PubChem CID116768604
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-amine
SMILESCCOC1(C(N)CCC(F)(F)F)CCC(C)(C)CC1
InChIInChI=1S/C14H26F3NO/c1-4-19-13(9-7-12(2,3)8-10-13)11(18)5-6-14(15,16)17/h11H,4-10,18H2,1-3H3
InChIKeyCNCFAAZBIFGHSN-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-amine
CID 116768623
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-amine
CID 114857240
(1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine
CID 104932113
1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 116768621
1-(4-ethoxyoxan-4-yl)-4-methoxy-4-methylpentan-1-amine
CID 103036117
4,4,4-trifluoro-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine
CID 116766176
(1S)-1-(1-ethoxycyclohexyl)butan-1-amine
CID 104932321
4,4,4-trifluoro-1-(1-methylcyclopentyl)butan-1-amine
CID 104992617
[3-cyclopropyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)propyl]hydrazine
CID 105277902
[1-(1-ethoxy-4,4-dimethylcyclohexyl)-2,2-dimethylpropyl]hydrazine
CID 105277919
(2,6-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine
CID 116768668
5,5,5-trifluoro-1-(4-methoxyoxan-4-yl)pentan-1-amine
CID 116764437

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-amine (CID 116768604) is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-amine is CCOC1(C(N)CCC(F)(F)F)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is CNCFAAZBIFGHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-4-19-13(9-7-12(2,3)8-10-13)11(18)5-6-14(15,16)17/h11H,4-10,18H2,1-3H3.
What are the key properties of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-amine?
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 116768604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).