2-[2-(trifluoromethyl)-1,4-diazepan-1-yl]ethanol

C8H15F3N2O — CID 115101625

IUPAC2-[2-(trifluoromethyl)-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCNCC1C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)7-6-12-2-1-3-13(7)4-5-14/h7,12,14H,1-6H2
InChIKeyUCPBPEUMIIOQIL-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.20
Rot. Bonds2

About 2-[2-(trifluoromethyl)-1,4-diazepan-1-yl]ethanol

2-[2-(trifluoromethyl)-1,4-diazepan-1-yl]ethanol (PubChem CID 115101625) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-1,4-diazepan-1-yl]ethanol
PubChem CID115101625
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name2-[2-(trifluoromethyl)-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCNCC1C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)7-6-12-2-1-3-13(7)4-5-14/h7,12,14H,1-6H2
InChIKeyUCPBPEUMIIOQIL-UHFFFAOYSA-N
XLogP0.20
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(trifluoromethyl)-1,4-diazepan-1-yl]methyl]phenol
CID 115101714
1-(2-pyrrolidin-1-ylethyl)-2-(trifluoromethyl)piperazine
CID 115101353
1-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)-1,4-diazepane
CID 115101680
1-(thiolan-2-ylmethyl)-2-(trifluoromethyl)-1,4-diazepane
CID 115101678
1-methyl-4-[2-[2-(trifluoromethyl)piperazin-1-yl]ethyl]piperazine
CID 115101352
4-(2-hydroxyethyl)-5-(trifluoromethyl)piperazin-2-one
CID 115101362
1-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)-1,4-diazepane
CID 115101708
1-(1-methylpyrrolidin-2-yl)-2-(trifluoromethyl)-1,4-diazepane
CID 115101666
2-hydroxy-1-[(2S)-2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 175896251
(2R)-2-tert-butyl-1-ethyl-1,4-diazepane
CID 176994090
2-(1,5,9-triazacyclododec-1-yl)ethanol
CID 11143375
(1-ethyl-1,4-diazepan-2-yl)methanol
CID 82240889

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[2-(trifluoromethyl)-1,4-diazepan-1-yl]ethanol (CID 115101625) is 2-[2-(trifluoromethyl)-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[2-(trifluoromethyl)-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[2-(trifluoromethyl)-1,4-diazepan-1-yl]ethanol is OCCN1CCCNCC1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)-1,4-diazepan-1-yl]ethanol?
The InChIKey is UCPBPEUMIIOQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c9-8(10,11)7-6-12-2-1-3-13(7)4-5-14/h7,12,14H,1-6H2.
What are the key properties of 2-[2-(trifluoromethyl)-1,4-diazepan-1-yl]ethanol?
2-[2-(trifluoromethyl)-1,4-diazepan-1-yl]ethanol has a molecular weight of 212.21 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 115101625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).