N-(1,1-difluoropropan-2-yl)pent-4-en-2-amine

C8H15F2N — CID 102870056

IUPACN-(1,1-difluoropropan-2-yl)pent-4-en-2-amine
SMILESC=CCC(C)NC(C)C(F)F
InChIInChI=1S/C8H15F2N/c1-4-5-6(2)11-7(3)8(9)10/h4,6-8,11H,1,5H2,2-3H3
InChIKeyYHUNASIEJZFBHU-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.19
Rot. Bonds5

About N-(1,1-difluoropropan-2-yl)pent-4-en-2-amine

N-(1,1-difluoropropan-2-yl)pent-4-en-2-amine (PubChem CID 102870056) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)pent-4-en-2-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)pent-4-en-2-amine
PubChem CID102870056
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC NameN-(1,1-difluoropropan-2-yl)pent-4-en-2-amine
SMILESC=CCC(C)NC(C)C(F)F
InChIInChI=1S/C8H15F2N/c1-4-5-6(2)11-7(3)8(9)10/h4,6-8,11H,1,5H2,2-3H3
InChIKeyYHUNASIEJZFBHU-UHFFFAOYSA-N
XLogP2.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.19
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 N-(1,1-difluoropropan-2-yl)pent-4-en-2-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)pent-4-en-2-amine (CID 102870056) is N-(1,1-difluoropropan-2-yl)pent-4-en-2-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)pent-4-en-2-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)pent-4-en-2-amine is C=CCC(C)NC(C)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)pent-4-en-2-amine?
The InChIKey is YHUNASIEJZFBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-4-5-6(2)11-7(3)8(9)10/h4,6-8,11H,1,5H2,2-3H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)pent-4-en-2-amine?
N-(1,1-difluoropropan-2-yl)pent-4-en-2-amine has a molecular weight of 163.21 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)pent-4-en-2-amine is sourced from PubChem (CID 102870056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).