4-[2-[4-(3-chloro-4-fluorophenyl)triazol-1-yl]ethyl]morpholine

C14H16ClFN4O — CID 72910161

IUPAC4-[2-[4-(3-chloro-4-fluorophenyl)triazol-1-yl]ethyl]morpholine
SMILESFc1ccc(-c2cn(CCN3CCOCC3)nn2)cc1Cl
InChIInChI=1S/C14H16ClFN4O/c15-12-9-11(1-2-13(12)16)14-10-20(18-17-14)4-3-19-5-7-21-8-6-19/h1-2,9-10H,3-8H2
InChIKeyOFTFOLAJJINVDU-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.07
Rot. Bonds4

About 4-[2-[4-(3-chloro-4-fluorophenyl)triazol-1-yl]ethyl]morpholine

4-[2-[4-(3-chloro-4-fluorophenyl)triazol-1-yl]ethyl]morpholine (PubChem CID 72910161) has the molecular formula C14H16ClFN4O and a molecular weight of 310.76 g/mol. Its IUPAC name is 4-[2-[4-(3-chloro-4-fluorophenyl)triazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(3-chloro-4-fluorophenyl)triazol-1-yl]ethyl]morpholine
PubChem CID72910161
Molecular FormulaC14H16ClFN4O
Molecular Weight310.76 g/mol
Exact Mass310.10
IUPAC Name4-[2-[4-(3-chloro-4-fluorophenyl)triazol-1-yl]ethyl]morpholine
SMILESFc1ccc(-c2cn(CCN3CCOCC3)nn2)cc1Cl
InChIInChI=1S/C14H16ClFN4O/c15-12-9-11(1-2-13(12)16)14-10-20(18-17-14)4-3-19-5-7-21-8-6-19/h1-2,9-10H,3-8H2
InChIKeyOFTFOLAJJINVDU-UHFFFAOYSA-N
XLogP2.07
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3-chloro-4-fluorophenyl)triazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(3-chloro-4-fluorophenyl)triazol-1-yl]ethyl]morpholine (CID 72910161) is 4-[2-[4-(3-chloro-4-fluorophenyl)triazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(3-chloro-4-fluorophenyl)triazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(3-chloro-4-fluorophenyl)triazol-1-yl]ethyl]morpholine is Fc1ccc(-c2cn(CCN3CCOCC3)nn2)cc1Cl.
What is the InChIKey of 4-[2-[4-(3-chloro-4-fluorophenyl)triazol-1-yl]ethyl]morpholine?
The InChIKey is OFTFOLAJJINVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4O/c15-12-9-11(1-2-13(12)16)14-10-20(18-17-14)4-3-19-5-7-21-8-6-19/h1-2,9-10H,3-8H2.
What are the key properties of 4-[2-[4-(3-chloro-4-fluorophenyl)triazol-1-yl]ethyl]morpholine?
4-[2-[4-(3-chloro-4-fluorophenyl)triazol-1-yl]ethyl]morpholine has a molecular weight of 310.76 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3-chloro-4-fluorophenyl)triazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 72910161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).