1-[1-(ethylamino)ethyl]-4-(trifluoromethyl)cyclohexan-1-ol

C11H20F3NO — CID 64756713

IUPAC1-[1-(ethylamino)ethyl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCNC(C)C1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-3-15-8(2)10(16)6-4-9(5-7-10)11(12,13)14/h8-9,15-16H,3-7H2,1-2H3
InChIKeyYCSIXAHUXBYWJC-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.47
Rot. Bonds3

About 1-[1-(ethylamino)ethyl]-4-(trifluoromethyl)cyclohexan-1-ol

1-[1-(ethylamino)ethyl]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64756713) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-[1-(ethylamino)ethyl]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(ethylamino)ethyl]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64756713
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1-[1-(ethylamino)ethyl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCNC(C)C1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-3-15-8(2)10(16)6-4-9(5-7-10)11(12,13)14/h8-9,15-16H,3-7H2,1-2H3
InChIKeyYCSIXAHUXBYWJC-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethylamino)ethyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[1-(ethylamino)ethyl]-4-(trifluoromethyl)cyclohexan-1-ol (CID 64756713) is 1-[1-(ethylamino)ethyl]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(ethylamino)ethyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[1-(ethylamino)ethyl]-4-(trifluoromethyl)cyclohexan-1-ol is CCNC(C)C1(O)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[1-(ethylamino)ethyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is YCSIXAHUXBYWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-3-15-8(2)10(16)6-4-9(5-7-10)11(12,13)14/h8-9,15-16H,3-7H2,1-2H3.
What are the key properties of 1-[1-(ethylamino)ethyl]-4-(trifluoromethyl)cyclohexan-1-ol?
1-[1-(ethylamino)ethyl]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 239.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethylamino)ethyl]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64756713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).