1-ethyl-3,5-difluorobenzene;methanamine

C9H13F2N — CID 154650973

IUPAC1-ethyl-3,5-difluorobenzene;methanamine
SMILESCCc1cc(F)cc(F)c1.CN
InChIInChI=1S/C8H8F2.CH5N/c1-2-6-3-7(9)5-8(10)4-6;1-2/h3-5H,2H2,1H3;2H2,1H3
InChIKeyCZAAKWPFLABADG-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.10
Rot. Bonds1

About 1-ethyl-3,5-difluorobenzene;methanamine

1-ethyl-3,5-difluorobenzene;methanamine (PubChem CID 154650973) has the molecular formula C9H13F2N and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-ethyl-3,5-difluorobenzene;methanamine.

Molecular Properties

Compound Name1-ethyl-3,5-difluorobenzene;methanamine
PubChem CID154650973
Molecular FormulaC9H13F2N
Molecular Weight173.21 g/mol
Exact Mass173.10
IUPAC Name1-ethyl-3,5-difluorobenzene;methanamine
SMILESCCc1cc(F)cc(F)c1.CN
InChIInChI=1S/C8H8F2.CH5N/c1-2-6-3-7(9)5-8(10)4-6;1-2/h3-5H,2H2,1H3;2H2,1H3
InChIKeyCZAAKWPFLABADG-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-ethyl-5-fluorophenyl)acetonitrile
CID 84764635
3-(3-ethyl-5-fluorophenyl)propan-1-ol
CID 117279245
1-(3-chloropropyl)-3-ethyl-5-fluorobenzene
CID 118824600
1,3-difluoro-5-propylbenzene;fluoromethane
CID 143588669
(3-ethyl-5-fluorophenyl)methanesulfinate
CID 174542118
1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine
CID 117279572
1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene
CID 54036374
1-(3,5-difluorophenyl)-2-methylpropan-2-amine
CID 22063501
1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine
CID 142869600
lithium;hydride;1,3,5-triethylbenzene
CID 174873379
1-ethyl-3,5-bis(4-fluorophenyl)benzene
CID 130381360
2-ethyl-6-fluoronaphthalene
CID 58787061

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-difluorobenzene;methanamine?
The IUPAC name of 1-ethyl-3,5-difluorobenzene;methanamine (CID 154650973) is 1-ethyl-3,5-difluorobenzene;methanamine.
What is the SMILES notation for 1-ethyl-3,5-difluorobenzene;methanamine?
The canonical SMILES for 1-ethyl-3,5-difluorobenzene;methanamine is CCc1cc(F)cc(F)c1.CN.
What is the InChIKey of 1-ethyl-3,5-difluorobenzene;methanamine?
The InChIKey is CZAAKWPFLABADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2.CH5N/c1-2-6-3-7(9)5-8(10)4-6;1-2/h3-5H,2H2,1H3;2H2,1H3.
What are the key properties of 1-ethyl-3,5-difluorobenzene;methanamine?
1-ethyl-3,5-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-3,5-difluorobenzene;methanamine is sourced from PubChem (CID 154650973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).