4-[2-(2,6-difluorocyclohex-3-en-1-yl)ethyl]cyclohex-2-en-1-amine

C14H21F2N — CID 90382271

IUPAC4-[2-(2,6-difluorocyclohex-3-en-1-yl)ethyl]cyclohex-2-en-1-amine
SMILESNC1C=CC(CCC2C(F)C=CCC2F)CC1
InChIInChI=1S/C14H21F2N/c15-13-2-1-3-14(16)12(13)9-6-10-4-7-11(17)8-5-10/h1-2,4,7,10-14H,3,5-6,8-9,17H2
InChIKeyMHXZBQKMHDMFMF-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.31
Rot. Bonds3

About 4-[2-(2,6-difluorocyclohex-3-en-1-yl)ethyl]cyclohex-2-en-1-amine

4-[2-(2,6-difluorocyclohex-3-en-1-yl)ethyl]cyclohex-2-en-1-amine (PubChem CID 90382271) has the molecular formula C14H21F2N and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[2-(2,6-difluorocyclohex-3-en-1-yl)ethyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound Name4-[2-(2,6-difluorocyclohex-3-en-1-yl)ethyl]cyclohex-2-en-1-amine
PubChem CID90382271
Molecular FormulaC14H21F2N
Molecular Weight241.33 g/mol
Exact Mass241.16
IUPAC Name4-[2-(2,6-difluorocyclohex-3-en-1-yl)ethyl]cyclohex-2-en-1-amine
SMILESNC1C=CC(CCC2C(F)C=CCC2F)CC1
InChIInChI=1S/C14H21F2N/c15-13-2-1-3-14(16)12(13)9-6-10-4-7-11(17)8-5-10/h1-2,4,7,10-14H,3,5-6,8-9,17H2
InChIKeyMHXZBQKMHDMFMF-UHFFFAOYSA-N
XLogP3.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-difluorocyclohex-3-en-1-yl)ethyl]cyclohex-2-en-1-amine?
The IUPAC name of 4-[2-(2,6-difluorocyclohex-3-en-1-yl)ethyl]cyclohex-2-en-1-amine (CID 90382271) is 4-[2-(2,6-difluorocyclohex-3-en-1-yl)ethyl]cyclohex-2-en-1-amine.
What is the SMILES notation for 4-[2-(2,6-difluorocyclohex-3-en-1-yl)ethyl]cyclohex-2-en-1-amine?
The canonical SMILES for 4-[2-(2,6-difluorocyclohex-3-en-1-yl)ethyl]cyclohex-2-en-1-amine is NC1C=CC(CCC2C(F)C=CCC2F)CC1.
What is the InChIKey of 4-[2-(2,6-difluorocyclohex-3-en-1-yl)ethyl]cyclohex-2-en-1-amine?
The InChIKey is MHXZBQKMHDMFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c15-13-2-1-3-14(16)12(13)9-6-10-4-7-11(17)8-5-10/h1-2,4,7,10-14H,3,5-6,8-9,17H2.
What are the key properties of 4-[2-(2,6-difluorocyclohex-3-en-1-yl)ethyl]cyclohex-2-en-1-amine?
4-[2-(2,6-difluorocyclohex-3-en-1-yl)ethyl]cyclohex-2-en-1-amine has a molecular weight of 241.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-difluorocyclohex-3-en-1-yl)ethyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 90382271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).