N-(3,3-difluoropropyl)but-3-en-2-amine

C7H13F2N — CID 130679907

IUPACN-(3,3-difluoropropyl)but-3-en-2-amine
SMILESC=CC(C)NCCC(F)F
InChIInChI=1S/C7H13F2N/c1-3-6(2)10-5-4-7(8)9/h3,6-7,10H,1,4-5H2,2H3
InChIKeyOUEMANCBANPWIR-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.81
Rot. Bonds5

About N-(3,3-difluoropropyl)but-3-en-2-amine

N-(3,3-difluoropropyl)but-3-en-2-amine (PubChem CID 130679907) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is N-(3,3-difluoropropyl)but-3-en-2-amine.

Molecular Properties

Compound NameN-(3,3-difluoropropyl)but-3-en-2-amine
PubChem CID130679907
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC NameN-(3,3-difluoropropyl)but-3-en-2-amine
SMILESC=CC(C)NCCC(F)F
InChIInChI=1S/C7H13F2N/c1-3-6(2)10-5-4-7(8)9/h3,6-7,10H,1,4-5H2,2H3
InChIKeyOUEMANCBANPWIR-UHFFFAOYSA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-en-2-yl-2-methylpropan-1-amine
CID 115876759
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-3-en-2-amine
CID 155457194
N-(2-pyrrolidin-1-ylethyl)but-3-en-2-amine
CID 107906914
N-but-3-en-2-ylhex-5-yn-1-amine
CID 106211402
1-(but-3-en-2-ylamino)-3-ethylpentan-2-ol
CID 106285355
N-(3,3-difluoropropyl)-3,3-difluoropropan-1-amine
CID 12032290
N-(2-methylsulfanylpropyl)but-3-en-2-amine
CID 107907984
(3R)-5,5-difluoro-3-methylpent-1-ene
CID 137420018
N-[2-(2-methylphenyl)ethyl]but-3-en-2-amine
CID 107907265
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]but-3-en-2-amine
CID 107907254
N-[2-(furan-2-yl)ethyl]but-3-en-2-amine
CID 107906669
N-[6-(but-3-en-2-ylamino)-2-oxohexan-3-yl]-3-methyl-2-prop-1-en-2-ylpentanamide
CID 90810209

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropropyl)but-3-en-2-amine?
The IUPAC name of N-(3,3-difluoropropyl)but-3-en-2-amine (CID 130679907) is N-(3,3-difluoropropyl)but-3-en-2-amine.
What is the SMILES notation for N-(3,3-difluoropropyl)but-3-en-2-amine?
The canonical SMILES for N-(3,3-difluoropropyl)but-3-en-2-amine is C=CC(C)NCCC(F)F.
What is the InChIKey of N-(3,3-difluoropropyl)but-3-en-2-amine?
The InChIKey is OUEMANCBANPWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c1-3-6(2)10-5-4-7(8)9/h3,6-7,10H,1,4-5H2,2H3.
What are the key properties of N-(3,3-difluoropropyl)but-3-en-2-amine?
N-(3,3-difluoropropyl)but-3-en-2-amine has a molecular weight of 149.18 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropropyl)but-3-en-2-amine is sourced from PubChem (CID 130679907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).