4-ethyl-1-(2,2,2-trifluoroethyl)azepan-4-ol

C10H18F3NO — CID 155585635

IUPAC4-ethyl-1-(2,2,2-trifluoroethyl)azepan-4-ol
SMILESCCC1(O)CCCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-2-9(15)4-3-6-14(7-5-9)8-10(11,12)13/h15H,2-8H2,1H3
InChIKeyZAMIPBVKHQZSPG-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.18
Rot. Bonds2

About 4-ethyl-1-(2,2,2-trifluoroethyl)azepan-4-ol

4-ethyl-1-(2,2,2-trifluoroethyl)azepan-4-ol (PubChem CID 155585635) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-ethyl-1-(2,2,2-trifluoroethyl)azepan-4-ol.

Molecular Properties

Compound Name4-ethyl-1-(2,2,2-trifluoroethyl)azepan-4-ol
PubChem CID155585635
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name4-ethyl-1-(2,2,2-trifluoroethyl)azepan-4-ol
SMILESCCC1(O)CCCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-2-9(15)4-3-6-14(7-5-9)8-10(11,12)13/h15H,2-8H2,1H3
InChIKeyZAMIPBVKHQZSPG-UHFFFAOYSA-N
XLogP2.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethyl-4-(trifluoromethyl)azepan-4-ol
CID 65077124
1-[4-Hydroxy-4-(trifluoromethyl)azepan-1-yl]ethanone
CID 126758621
Ethane;4-methyl-1-(2,2,2-trifluoroethyl)azepan-4-ol
CID 155585642
1-Methyl-4-(3,3,3-trifluoropropyl)piperidin-4-ol
CID 64565760
1-Ethyl-4-(3,3,3-trifluoropropyl)piperidin-4-ol
CID 64565761
1-Propyl-4-(3,3,3-trifluoropropyl)piperidin-4-ol
CID 64565762
1-Methyl-4-(3,3,3-trifluoropropyl)azepan-4-ol
CID 65072504
1-Methyl-4-(trifluoromethyl)azepan-4-ol
CID 65072507
1-Propan-2-yl-4-(trifluoromethyl)azepan-4-ol
CID 65077123
1-Propyl-4-(trifluoromethyl)azepan-4-ol
CID 65077176
1-Propan-2-yl-4-(3,3,3-trifluoropropyl)azepan-4-ol
CID 65077421
1-Ethyl-4-(3,3,3-trifluoropropyl)azepan-4-ol
CID 65077505

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2,2,2-trifluoroethyl)azepan-4-ol?
The IUPAC name of 4-ethyl-1-(2,2,2-trifluoroethyl)azepan-4-ol (CID 155585635) is 4-ethyl-1-(2,2,2-trifluoroethyl)azepan-4-ol.
What is the SMILES notation for 4-ethyl-1-(2,2,2-trifluoroethyl)azepan-4-ol?
The canonical SMILES for 4-ethyl-1-(2,2,2-trifluoroethyl)azepan-4-ol is CCC1(O)CCCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-ethyl-1-(2,2,2-trifluoroethyl)azepan-4-ol?
The InChIKey is ZAMIPBVKHQZSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-2-9(15)4-3-6-14(7-5-9)8-10(11,12)13/h15H,2-8H2,1H3.
What are the key properties of 4-ethyl-1-(2,2,2-trifluoroethyl)azepan-4-ol?
4-ethyl-1-(2,2,2-trifluoroethyl)azepan-4-ol has a molecular weight of 225.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2,2,2-trifluoroethyl)azepan-4-ol is sourced from PubChem (CID 155585635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).