cyclohexa-1,3-diene;N-ethyl-2,2-difluorocyclohexan-1-amine

C14H23F2N — CID 156803366

IUPACcyclohexa-1,3-diene;N-ethyl-2,2-difluorocyclohexan-1-amine
SMILESC1=CCCC=C1.CCNC1CCCCC1(F)F
InChIInChI=1S/C8H15F2N.C6H8/c1-2-11-7-5-3-4-6-8(7,9)10;1-2-4-6-5-3-1/h7,11H,2-6H2,1H3;1-4H,5-6H2
InChIKeyKPMOMVUESQBCFU-UHFFFAOYSA-N
MW243.34 g/mol
LogP4.07
Rot. Bonds2

About cyclohexa-1,3-diene;N-ethyl-2,2-difluorocyclohexan-1-amine

cyclohexa-1,3-diene;N-ethyl-2,2-difluorocyclohexan-1-amine (PubChem CID 156803366) has the molecular formula C14H23F2N and a molecular weight of 243.34 g/mol. Its IUPAC name is cyclohexa-1,3-diene;N-ethyl-2,2-difluorocyclohexan-1-amine.

Molecular Properties

Compound Namecyclohexa-1,3-diene;N-ethyl-2,2-difluorocyclohexan-1-amine
PubChem CID156803366
Molecular FormulaC14H23F2N
Molecular Weight243.34 g/mol
Exact Mass243.18
IUPAC Namecyclohexa-1,3-diene;N-ethyl-2,2-difluorocyclohexan-1-amine
SMILESC1=CCCC=C1.CCNC1CCCCC1(F)F
InChIInChI=1S/C8H15F2N.C6H8/c1-2-11-7-5-3-4-6-8(7,9)10;1-2-4-6-5-3-1/h7,11H,2-6H2,1H3;1-4H,5-6H2
InChIKeyKPMOMVUESQBCFU-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-diene;N-ethyl-2,2-difluorocyclohexan-1-amine?
The IUPAC name of cyclohexa-1,3-diene;N-ethyl-2,2-difluorocyclohexan-1-amine (CID 156803366) is cyclohexa-1,3-diene;N-ethyl-2,2-difluorocyclohexan-1-amine.
What is the SMILES notation for cyclohexa-1,3-diene;N-ethyl-2,2-difluorocyclohexan-1-amine?
The canonical SMILES for cyclohexa-1,3-diene;N-ethyl-2,2-difluorocyclohexan-1-amine is C1=CCCC=C1.CCNC1CCCCC1(F)F.
What is the InChIKey of cyclohexa-1,3-diene;N-ethyl-2,2-difluorocyclohexan-1-amine?
The InChIKey is KPMOMVUESQBCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N.C6H8/c1-2-11-7-5-3-4-6-8(7,9)10;1-2-4-6-5-3-1/h7,11H,2-6H2,1H3;1-4H,5-6H2.
What are the key properties of cyclohexa-1,3-diene;N-ethyl-2,2-difluorocyclohexan-1-amine?
cyclohexa-1,3-diene;N-ethyl-2,2-difluorocyclohexan-1-amine has a molecular weight of 243.34 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-diene;N-ethyl-2,2-difluorocyclohexan-1-amine is sourced from PubChem (CID 156803366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).