2-amino-1-(4-fluorocyclohex-3-en-1-yl)-1-(2-fluorocyclohexyl)ethanol

C14H23F2NO — CID 144833050

IUPAC2-amino-1-(4-fluorocyclohex-3-en-1-yl)-1-(2-fluorocyclohexyl)ethanol
SMILESNCC(O)(C1CC=C(F)CC1)C1CCCCC1F
InChIInChI=1S/C14H23F2NO/c15-11-7-5-10(6-8-11)14(18,9-17)12-3-1-2-4-13(12)16/h7,10,12-13,18H,1-6,8-9,17H2
InChIKeyCGGIEDJBKCBHIG-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.86
Rot. Bonds3

About 2-amino-1-(4-fluorocyclohex-3-en-1-yl)-1-(2-fluorocyclohexyl)ethanol

2-amino-1-(4-fluorocyclohex-3-en-1-yl)-1-(2-fluorocyclohexyl)ethanol (PubChem CID 144833050) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is 2-amino-1-(4-fluorocyclohex-3-en-1-yl)-1-(2-fluorocyclohexyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(4-fluorocyclohex-3-en-1-yl)-1-(2-fluorocyclohexyl)ethanol
PubChem CID144833050
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name2-amino-1-(4-fluorocyclohex-3-en-1-yl)-1-(2-fluorocyclohexyl)ethanol
SMILESNCC(O)(C1CC=C(F)CC1)C1CCCCC1F
InChIInChI=1S/C14H23F2NO/c15-11-7-5-10(6-8-11)14(18,9-17)12-3-1-2-4-13(12)16/h7,10,12-13,18H,1-6,8-9,17H2
InChIKeyCGGIEDJBKCBHIG-UHFFFAOYSA-N
XLogP2.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-fluorocyclohex-3-en-1-yl)-1-(2-fluorocyclohexyl)ethanol?
The IUPAC name of 2-amino-1-(4-fluorocyclohex-3-en-1-yl)-1-(2-fluorocyclohexyl)ethanol (CID 144833050) is 2-amino-1-(4-fluorocyclohex-3-en-1-yl)-1-(2-fluorocyclohexyl)ethanol.
What is the SMILES notation for 2-amino-1-(4-fluorocyclohex-3-en-1-yl)-1-(2-fluorocyclohexyl)ethanol?
The canonical SMILES for 2-amino-1-(4-fluorocyclohex-3-en-1-yl)-1-(2-fluorocyclohexyl)ethanol is NCC(O)(C1CC=C(F)CC1)C1CCCCC1F.
What is the InChIKey of 2-amino-1-(4-fluorocyclohex-3-en-1-yl)-1-(2-fluorocyclohexyl)ethanol?
The InChIKey is CGGIEDJBKCBHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c15-11-7-5-10(6-8-11)14(18,9-17)12-3-1-2-4-13(12)16/h7,10,12-13,18H,1-6,8-9,17H2.
What are the key properties of 2-amino-1-(4-fluorocyclohex-3-en-1-yl)-1-(2-fluorocyclohexyl)ethanol?
2-amino-1-(4-fluorocyclohex-3-en-1-yl)-1-(2-fluorocyclohexyl)ethanol has a molecular weight of 259.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-fluorocyclohex-3-en-1-yl)-1-(2-fluorocyclohexyl)ethanol is sourced from PubChem (CID 144833050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).