1-ethyl-2,3-difluorobenzene;methanamine

C9H13F2N — CID 143205868

IUPAC1-ethyl-2,3-difluorobenzene;methanamine
SMILESCCc1cccc(F)c1F.CN
InChIInChI=1S/C8H8F2.CH5N/c1-2-6-4-3-5-7(9)8(6)10;1-2/h3-5H,2H2,1H3;2H2,1H3
InChIKeyFBKFNPQEDPCHOD-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.10
Rot. Bonds1

About 1-ethyl-2,3-difluorobenzene;methanamine

1-ethyl-2,3-difluorobenzene;methanamine (PubChem CID 143205868) has the molecular formula C9H13F2N and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-ethyl-2,3-difluorobenzene;methanamine.

Molecular Properties

Compound Name1-ethyl-2,3-difluorobenzene;methanamine
PubChem CID143205868
Molecular FormulaC9H13F2N
Molecular Weight173.21 g/mol
Exact Mass173.10
IUPAC Name1-ethyl-2,3-difluorobenzene;methanamine
SMILESCCc1cccc(F)c1F.CN
InChIInChI=1S/C8H8F2.CH5N/c1-2-6-4-3-5-7(9)8(6)10;1-2/h3-5H,2H2,1H3;2H2,1H3
InChIKeyFBKFNPQEDPCHOD-UHFFFAOYSA-N
XLogP2.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-difluorophenyl)methanamine
CID 2736941
1,2-difluoro-3-(iodomethyl)benzene
CID 64789130
1-ethyl-3-fluoro-2-methylbenzene
CID 18711825
azane;1-ethyl-2-fluorobenzene
CID 66657049
1,2-difluoro-3-(methylsulfonylmethyl)benzene
CID 2761430
(3-ethyl-2-fluorophenyl)hydrazine
CID 130780549
1-(2,3-difluorophenyl)pentan-2-amine
CID 62601447
1-ethyl-3-(3-ethyl-2-fluorophenyl)sulfanyl-2-fluorobenzene
CID 66729762
2-(2,3-difluorophenyl)acetaldehyde
CID 22667341
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
1-(2,2-dimethylbutyl)-2,3-difluorobenzene
CID 135277265
4-amino-1-(2,3-difluorophenyl)butan-2-one
CID 116550836

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-difluorobenzene;methanamine?
The IUPAC name of 1-ethyl-2,3-difluorobenzene;methanamine (CID 143205868) is 1-ethyl-2,3-difluorobenzene;methanamine.
What is the SMILES notation for 1-ethyl-2,3-difluorobenzene;methanamine?
The canonical SMILES for 1-ethyl-2,3-difluorobenzene;methanamine is CCc1cccc(F)c1F.CN.
What is the InChIKey of 1-ethyl-2,3-difluorobenzene;methanamine?
The InChIKey is FBKFNPQEDPCHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2.CH5N/c1-2-6-4-3-5-7(9)8(6)10;1-2/h3-5H,2H2,1H3;2H2,1H3.
What are the key properties of 1-ethyl-2,3-difluorobenzene;methanamine?
1-ethyl-2,3-difluorobenzene;methanamine has a molecular weight of 173.21 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-difluorobenzene;methanamine is sourced from PubChem (CID 143205868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).