1-(2-chloro-6-fluorophenyl)-2-(ethylamino)ethanol

C10H13ClFNO — CID 62773326

IUPAC1-(2-chloro-6-fluorophenyl)-2-(ethylamino)ethanol
SMILESCCNCC(O)c1c(F)cccc1Cl
InChIInChI=1S/C10H13ClFNO/c1-2-13-6-9(14)10-7(11)4-3-5-8(10)12/h3-5,9,13-14H,2,6H2,1H3
InChIKeyCVCPLRLYQWIWHI-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.12
Rot. Bonds4

About 1-(2-chloro-6-fluorophenyl)-2-(ethylamino)ethanol

1-(2-chloro-6-fluorophenyl)-2-(ethylamino)ethanol (PubChem CID 62773326) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-2-(ethylamino)ethanol.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-2-(ethylamino)ethanol
PubChem CID62773326
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name1-(2-chloro-6-fluorophenyl)-2-(ethylamino)ethanol
SMILESCCNCC(O)c1c(F)cccc1Cl
InChIInChI=1S/C10H13ClFNO/c1-2-13-6-9(14)10-7(11)4-3-5-8(10)12/h3-5,9,13-14H,2,6H2,1H3
InChIKeyCVCPLRLYQWIWHI-UHFFFAOYSA-N
XLogP2.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-(ethylamino)ethanol?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-(ethylamino)ethanol (CID 62773326) is 1-(2-chloro-6-fluorophenyl)-2-(ethylamino)ethanol.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-2-(ethylamino)ethanol?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-2-(ethylamino)ethanol is CCNCC(O)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-2-(ethylamino)ethanol?
The InChIKey is CVCPLRLYQWIWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-2-13-6-9(14)10-7(11)4-3-5-8(10)12/h3-5,9,13-14H,2,6H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-2-(ethylamino)ethanol?
1-(2-chloro-6-fluorophenyl)-2-(ethylamino)ethanol has a molecular weight of 217.67 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-2-(ethylamino)ethanol is sourced from PubChem (CID 62773326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).