3-methyl-1,1-bis(prop-2-enyl)cyclobutane;8,8,8-trifluorooctan-1-amine

C19H34F3N — CID 174211712

IUPAC3-methyl-1,1-bis(prop-2-enyl)cyclobutane;8,8,8-trifluorooctan-1-amine
SMILESC=CCC1(CC=C)CC(C)C1.NCCCCCCCC(F)(F)F
InChIInChI=1S/C11H18.C8H16F3N/c1-4-6-11(7-5-2)8-10(3)9-11;9-8(10,11)6-4-2-1-3-5-7-12/h4-5,10H,1-2,6-9H2,3H3;1-7,12H2
InChIKeyGNDXEGVNAQWENN-UHFFFAOYSA-N
MW333.48 g/mol
LogP6.40
Rot. Bonds10

About 3-methyl-1,1-bis(prop-2-enyl)cyclobutane;8,8,8-trifluorooctan-1-amine

3-methyl-1,1-bis(prop-2-enyl)cyclobutane;8,8,8-trifluorooctan-1-amine (PubChem CID 174211712) has the molecular formula C19H34F3N and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-methyl-1,1-bis(prop-2-enyl)cyclobutane;8,8,8-trifluorooctan-1-amine.

Molecular Properties

Compound Name3-methyl-1,1-bis(prop-2-enyl)cyclobutane;8,8,8-trifluorooctan-1-amine
PubChem CID174211712
Molecular FormulaC19H34F3N
Molecular Weight333.48 g/mol
Exact Mass333.26
IUPAC Name3-methyl-1,1-bis(prop-2-enyl)cyclobutane;8,8,8-trifluorooctan-1-amine
SMILESC=CCC1(CC=C)CC(C)C1.NCCCCCCCC(F)(F)F
InChIInChI=1S/C11H18.C8H16F3N/c1-4-6-11(7-5-2)8-10(3)9-11;9-8(10,11)6-4-2-1-3-5-7-12/h4-5,10H,1-2,6-9H2,3H3;1-7,12H2
InChIKeyGNDXEGVNAQWENN-UHFFFAOYSA-N
XLogP6.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,1-bis(prop-2-enyl)cyclobutane;8,8,8-trifluorooctan-1-amine?
The IUPAC name of 3-methyl-1,1-bis(prop-2-enyl)cyclobutane;8,8,8-trifluorooctan-1-amine (CID 174211712) is 3-methyl-1,1-bis(prop-2-enyl)cyclobutane;8,8,8-trifluorooctan-1-amine.
What is the SMILES notation for 3-methyl-1,1-bis(prop-2-enyl)cyclobutane;8,8,8-trifluorooctan-1-amine?
The canonical SMILES for 3-methyl-1,1-bis(prop-2-enyl)cyclobutane;8,8,8-trifluorooctan-1-amine is C=CCC1(CC=C)CC(C)C1.NCCCCCCCC(F)(F)F.
What is the InChIKey of 3-methyl-1,1-bis(prop-2-enyl)cyclobutane;8,8,8-trifluorooctan-1-amine?
The InChIKey is GNDXEGVNAQWENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18.C8H16F3N/c1-4-6-11(7-5-2)8-10(3)9-11;9-8(10,11)6-4-2-1-3-5-7-12/h4-5,10H,1-2,6-9H2,3H3;1-7,12H2.
What are the key properties of 3-methyl-1,1-bis(prop-2-enyl)cyclobutane;8,8,8-trifluorooctan-1-amine?
3-methyl-1,1-bis(prop-2-enyl)cyclobutane;8,8,8-trifluorooctan-1-amine has a molecular weight of 333.48 g/mol, XLogP of 6.40, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,1-bis(prop-2-enyl)cyclobutane;8,8,8-trifluorooctan-1-amine is sourced from PubChem (CID 174211712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).