N-[(3,3-difluorocyclobutyl)methyl]pent-4-en-1-amine

C10H17F2N — CID 163239347

IUPACN-[(3,3-difluorocyclobutyl)methyl]pent-4-en-1-amine
SMILESC=CCCCNCC1CC(F)(F)C1
InChIInChI=1S/C10H17F2N/c1-2-3-4-5-13-8-9-6-10(11,12)7-9/h2,9,13H,1,3-8H2
InChIKeyRTHMTUOUJQGOIG-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.59
Rot. Bonds6

About N-[(3,3-difluorocyclobutyl)methyl]pent-4-en-1-amine

N-[(3,3-difluorocyclobutyl)methyl]pent-4-en-1-amine (PubChem CID 163239347) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]pent-4-en-1-amine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]pent-4-en-1-amine
PubChem CID163239347
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]pent-4-en-1-amine
SMILESC=CCCCNCC1CC(F)(F)C1
InChIInChI=1S/C10H17F2N/c1-2-3-4-5-13-8-9-6-10(11,12)7-9/h2,9,13H,1,3-8H2
InChIKeyRTHMTUOUJQGOIG-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.59
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 N-[(3,3-difluorocyclobutyl)methyl]pent-4-en-1-amine?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]pent-4-en-1-amine (CID 163239347) is N-[(3,3-difluorocyclobutyl)methyl]pent-4-en-1-amine.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]pent-4-en-1-amine?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]pent-4-en-1-amine is C=CCCCNCC1CC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]pent-4-en-1-amine?
The InChIKey is RTHMTUOUJQGOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-2-3-4-5-13-8-9-6-10(11,12)7-9/h2,9,13H,1,3-8H2.
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]pent-4-en-1-amine?
N-[(3,3-difluorocyclobutyl)methyl]pent-4-en-1-amine has a molecular weight of 189.25 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclobutyl)methyl]pent-4-en-1-amine is sourced from PubChem (CID 163239347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).