3-tert-butyl-3-fluorocyclohexa-1,5-diene-1,4-diamine

C10H17FN2 — CID 66629992

IUPAC3-tert-butyl-3-fluorocyclohexa-1,5-diene-1,4-diamine
SMILESCC(C)(C)C1(F)C=C(N)C=CC1N
InChIInChI=1S/C10H17FN2/c1-9(2,3)10(11)6-7(12)4-5-8(10)13/h4-6,8H,12-13H2,1-3H3
InChIKeyVWDDZNUDZZCXBL-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.48
Rot. Bonds

About 3-tert-butyl-3-fluorocyclohexa-1,5-diene-1,4-diamine

3-tert-butyl-3-fluorocyclohexa-1,5-diene-1,4-diamine (PubChem CID 66629992) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is 3-tert-butyl-3-fluorocyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name3-tert-butyl-3-fluorocyclohexa-1,5-diene-1,4-diamine
PubChem CID66629992
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name3-tert-butyl-3-fluorocyclohexa-1,5-diene-1,4-diamine
SMILESCC(C)(C)C1(F)C=C(N)C=CC1N
InChIInChI=1S/C10H17FN2/c1-9(2,3)10(11)6-7(12)4-5-8(10)13/h4-6,8H,12-13H2,1-3H3
InChIKeyVWDDZNUDZZCXBL-UHFFFAOYSA-N
XLogP1.48
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-fluorocyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 3-tert-butyl-3-fluorocyclohexa-1,5-diene-1,4-diamine (CID 66629992) is 3-tert-butyl-3-fluorocyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 3-tert-butyl-3-fluorocyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 3-tert-butyl-3-fluorocyclohexa-1,5-diene-1,4-diamine is CC(C)(C)C1(F)C=C(N)C=CC1N.
What is the InChIKey of 3-tert-butyl-3-fluorocyclohexa-1,5-diene-1,4-diamine?
The InChIKey is VWDDZNUDZZCXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2/c1-9(2,3)10(11)6-7(12)4-5-8(10)13/h4-6,8H,12-13H2,1-3H3.
What are the key properties of 3-tert-butyl-3-fluorocyclohexa-1,5-diene-1,4-diamine?
3-tert-butyl-3-fluorocyclohexa-1,5-diene-1,4-diamine has a molecular weight of 184.26 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-fluorocyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 66629992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).