1,3-dichlorobenzene;2-fluoroacetic acid;N-methylmethanamine

C10H14Cl2FNO2 — CID 174957029

IUPAC1,3-dichlorobenzene;2-fluoroacetic acid;N-methylmethanamine
SMILESCNC.Clc1cccc(Cl)c1.O=C(O)CF
InChIInChI=1S/C6H4Cl2.C2H3FO2.C2H7N/c7-5-2-1-3-6(8)4-5;3-1-2(4)5;1-3-2/h1-4H;1H2,(H,4,5);3H,1-2H3
InChIKeyQLPOSYRUFIMXNE-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.87
Rot. Bonds1

About 1,3-dichlorobenzene;2-fluoroacetic acid;N-methylmethanamine

1,3-dichlorobenzene;2-fluoroacetic acid;N-methylmethanamine (PubChem CID 174957029) has the molecular formula C10H14Cl2FNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 1,3-dichlorobenzene;2-fluoroacetic acid;N-methylmethanamine.

Molecular Properties

Compound Name1,3-dichlorobenzene;2-fluoroacetic acid;N-methylmethanamine
PubChem CID174957029
Molecular FormulaC10H14Cl2FNO2
Molecular Weight270.13 g/mol
Exact Mass269.04
IUPAC Name1,3-dichlorobenzene;2-fluoroacetic acid;N-methylmethanamine
SMILESCNC.Clc1cccc(Cl)c1.O=C(O)CF
InChIInChI=1S/C6H4Cl2.C2H3FO2.C2H7N/c7-5-2-1-3-6(8)4-5;3-1-2(4)5;1-3-2/h1-4H;1H2,(H,4,5);3H,1-2H3
InChIKeyQLPOSYRUFIMXNE-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid;1,3-dichlorobenzene;hydrate
CID 118105432
(E)-4-(3-chlorophenyl)pent-3-enoic acid
CID 83950160
butane;1,3-dichlorobenzene
CID 174455068
1,3-dichlorobenzene;sulfanol
CID 174381890
2-fluoroacetic acid;1,2,3,4-tetrachlorobenzene
CID 174356728
3-(3-chlorophenyl)butanoic acid
CID 71683749
azane;1,3-dichlorobenzene
CID 67301049
1,3-dichlorobenzene;trihydrofluoride
CID 172846672
2-(3-chlorophenyl)-2-(methylamino)butanoic acid
CID 43753632
1,3-dichlorobenzene;guanidine
CID 174959611
3-(3-chlorophenyl)-1-(4-chlorophenyl)-4-(methylamino)but-3-en-2-one
CID 154338882
butanoic acid;3-chloroaniline
CID 174579608

Frequently Asked Questions

What is the IUPAC name of 1,3-dichlorobenzene;2-fluoroacetic acid;N-methylmethanamine?
The IUPAC name of 1,3-dichlorobenzene;2-fluoroacetic acid;N-methylmethanamine (CID 174957029) is 1,3-dichlorobenzene;2-fluoroacetic acid;N-methylmethanamine.
What is the SMILES notation for 1,3-dichlorobenzene;2-fluoroacetic acid;N-methylmethanamine?
The canonical SMILES for 1,3-dichlorobenzene;2-fluoroacetic acid;N-methylmethanamine is CNC.Clc1cccc(Cl)c1.O=C(O)CF.
What is the InChIKey of 1,3-dichlorobenzene;2-fluoroacetic acid;N-methylmethanamine?
The InChIKey is QLPOSYRUFIMXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2.C2H3FO2.C2H7N/c7-5-2-1-3-6(8)4-5;3-1-2(4)5;1-3-2/h1-4H;1H2,(H,4,5);3H,1-2H3.
What are the key properties of 1,3-dichlorobenzene;2-fluoroacetic acid;N-methylmethanamine?
1,3-dichlorobenzene;2-fluoroacetic acid;N-methylmethanamine has a molecular weight of 270.13 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichlorobenzene;2-fluoroacetic acid;N-methylmethanamine is sourced from PubChem (CID 174957029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).