2,3-diethyl-3-fluorocyclohexa-1,5-diene-1,4-diamine

C10H17FN2 — CID 90030982

IUPAC2,3-diethyl-3-fluorocyclohexa-1,5-diene-1,4-diamine
SMILESCCC1=C(N)C=CC(N)C1(F)CC
InChIInChI=1S/C10H17FN2/c1-3-7-8(12)5-6-9(13)10(7,11)4-2/h5-6,9H,3-4,12-13H2,1-2H3
InChIKeyFMSKRFNISWHXLD-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.62
Rot. Bonds2

About 2,3-diethyl-3-fluorocyclohexa-1,5-diene-1,4-diamine

2,3-diethyl-3-fluorocyclohexa-1,5-diene-1,4-diamine (PubChem CID 90030982) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is 2,3-diethyl-3-fluorocyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name2,3-diethyl-3-fluorocyclohexa-1,5-diene-1,4-diamine
PubChem CID90030982
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name2,3-diethyl-3-fluorocyclohexa-1,5-diene-1,4-diamine
SMILESCCC1=C(N)C=CC(N)C1(F)CC
InChIInChI=1S/C10H17FN2/c1-3-7-8(12)5-6-9(13)10(7,11)4-2/h5-6,9H,3-4,12-13H2,1-2H3
InChIKeyFMSKRFNISWHXLD-UHFFFAOYSA-N
XLogP1.62
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-3-fluorocyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 2,3-diethyl-3-fluorocyclohexa-1,5-diene-1,4-diamine (CID 90030982) is 2,3-diethyl-3-fluorocyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 2,3-diethyl-3-fluorocyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 2,3-diethyl-3-fluorocyclohexa-1,5-diene-1,4-diamine is CCC1=C(N)C=CC(N)C1(F)CC.
What is the InChIKey of 2,3-diethyl-3-fluorocyclohexa-1,5-diene-1,4-diamine?
The InChIKey is FMSKRFNISWHXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2/c1-3-7-8(12)5-6-9(13)10(7,11)4-2/h5-6,9H,3-4,12-13H2,1-2H3.
What are the key properties of 2,3-diethyl-3-fluorocyclohexa-1,5-diene-1,4-diamine?
2,3-diethyl-3-fluorocyclohexa-1,5-diene-1,4-diamine has a molecular weight of 184.26 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-3-fluorocyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 90030982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).