3-(azocan-1-yl)-1,1,1-trifluoropropan-2-ol

C10H18F3NO — CID 63901840

IUPAC3-(azocan-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESOC(CN1CCCCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)9(15)8-14-6-4-2-1-3-5-7-14/h9,15H,1-8H2
InChIKeyACZVLNKEUPNJCU-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.18
Rot. Bonds2

About 3-(azocan-1-yl)-1,1,1-trifluoropropan-2-ol

3-(azocan-1-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 63901840) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(azocan-1-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(azocan-1-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID63901840
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name3-(azocan-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESOC(CN1CCCCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)9(15)8-14-6-4-2-1-3-5-7-14/h9,15H,1-8H2
InChIKeyACZVLNKEUPNJCU-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

1,1,1-trifluoro-3-[4-(3,3,3-trifluoro-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-2-ol
CID 2782952
1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 2765894
1,1,1-trifluoro-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 63900205
3-(4,4-dimethylazepan-1-yl)-1,1,1-trifluoropropan-2-ol
CID 65282401
(2R)-1,1,1-trifluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 1479938
1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxylic acid
CID 63900261
2-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]acetonitrile
CID 63900880
1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 63902043
1-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]ethanone
CID 63901490
1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine
CID 124508985
1,1,1-trifluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol
CID 63899653
1,1,1-trifluoro-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 63902467

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(azocan-1-yl)-1,1,1-trifluoropropan-2-ol (CID 63901840) is 3-(azocan-1-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(azocan-1-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(azocan-1-yl)-1,1,1-trifluoropropan-2-ol is OC(CN1CCCCCCC1)C(F)(F)F.
What is the InChIKey of 3-(azocan-1-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is ACZVLNKEUPNJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)9(15)8-14-6-4-2-1-3-5-7-14/h9,15H,1-8H2.
What are the key properties of 3-(azocan-1-yl)-1,1,1-trifluoropropan-2-ol?
3-(azocan-1-yl)-1,1,1-trifluoropropan-2-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 3-(azocan-1-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63901840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).