8-(3,3-difluorocyclobutyl)-4-methyl-6-methylideneoctan-2-amine

C14H25F2N — CID 129066497

IUPAC8-(3,3-difluorocyclobutyl)-4-methyl-6-methylideneoctan-2-amine
SMILESC=C(CCC1CC(F)(F)C1)CC(C)CC(C)N
InChIInChI=1S/C14H25F2N/c1-10(6-11(2)7-12(3)17)4-5-13-8-14(15,16)9-13/h11-13H,1,4-9,17H2,2-3H3
InChIKeyWINXGDJBYAGNBK-UHFFFAOYSA-N
MW245.36 g/mol
LogP4.13
Rot. Bonds7

About 8-(3,3-difluorocyclobutyl)-4-methyl-6-methylideneoctan-2-amine

8-(3,3-difluorocyclobutyl)-4-methyl-6-methylideneoctan-2-amine (PubChem CID 129066497) has the molecular formula C14H25F2N and a molecular weight of 245.36 g/mol. Its IUPAC name is 8-(3,3-difluorocyclobutyl)-4-methyl-6-methylideneoctan-2-amine.

Molecular Properties

Compound Name8-(3,3-difluorocyclobutyl)-4-methyl-6-methylideneoctan-2-amine
PubChem CID129066497
Molecular FormulaC14H25F2N
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name8-(3,3-difluorocyclobutyl)-4-methyl-6-methylideneoctan-2-amine
SMILESC=C(CCC1CC(F)(F)C1)CC(C)CC(C)N
InChIInChI=1S/C14H25F2N/c1-10(6-11(2)7-12(3)17)4-5-13-8-14(15,16)9-13/h11-13H,1,4-9,17H2,2-3H3
InChIKeyWINXGDJBYAGNBK-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 54.13
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 8-(3,3-difluorocyclobutyl)-4-methyl-6-methylideneoctan-2-amine?
The IUPAC name of 8-(3,3-difluorocyclobutyl)-4-methyl-6-methylideneoctan-2-amine (CID 129066497) is 8-(3,3-difluorocyclobutyl)-4-methyl-6-methylideneoctan-2-amine.
What is the SMILES notation for 8-(3,3-difluorocyclobutyl)-4-methyl-6-methylideneoctan-2-amine?
The canonical SMILES for 8-(3,3-difluorocyclobutyl)-4-methyl-6-methylideneoctan-2-amine is C=C(CCC1CC(F)(F)C1)CC(C)CC(C)N.
What is the InChIKey of 8-(3,3-difluorocyclobutyl)-4-methyl-6-methylideneoctan-2-amine?
The InChIKey is WINXGDJBYAGNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2N/c1-10(6-11(2)7-12(3)17)4-5-13-8-14(15,16)9-13/h11-13H,1,4-9,17H2,2-3H3.
What are the key properties of 8-(3,3-difluorocyclobutyl)-4-methyl-6-methylideneoctan-2-amine?
8-(3,3-difluorocyclobutyl)-4-methyl-6-methylideneoctan-2-amine has a molecular weight of 245.36 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-difluorocyclobutyl)-4-methyl-6-methylideneoctan-2-amine is sourced from PubChem (CID 129066497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).