N-(1,2-difluoropropyl)butan-1-amine

C7H15F2N — CID 123879237

IUPACN-(1,2-difluoropropyl)butan-1-amine
SMILESCCCCNC(F)C(C)F
InChIInChI=1S/C7H15F2N/c1-3-4-5-10-7(9)6(2)8/h6-7,10H,3-5H2,1-2H3
InChIKeyGKPFXZRYBVBURN-UHFFFAOYSA-N
MW151.20 g/mol
LogP2.03
Rot. Bonds5

About N-(1,2-difluoropropyl)butan-1-amine

N-(1,2-difluoropropyl)butan-1-amine (PubChem CID 123879237) has the molecular formula C7H15F2N and a molecular weight of 151.20 g/mol. Its IUPAC name is N-(1,2-difluoropropyl)butan-1-amine.

Molecular Properties

Compound NameN-(1,2-difluoropropyl)butan-1-amine
PubChem CID123879237
Molecular FormulaC7H15F2N
Molecular Weight151.20 g/mol
Exact Mass151.12
IUPAC NameN-(1,2-difluoropropyl)butan-1-amine
SMILESCCCCNC(F)C(C)F
InChIInChI=1S/C7H15F2N/c1-3-4-5-10-7(9)6(2)8/h6-7,10H,3-5H2,1-2H3
InChIKeyGKPFXZRYBVBURN-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-ylbutan-1-amine chloride
CID 19629099
N-(1,1-difluoropropan-2-yl)octan-1-amine
CID 102869921
N-(1,1-difluoropropan-2-yl)hexan-1-amine
CID 102868054
1-(butylamino)ethanol;hydrochloride
CID 20534159
butylaminomethanedithiol
CID 25110747
1-N-butyl-1-N',1-N'-dimethylethane-1,1-diamine
CID 90058394
(2R)-3-N-butylbutane-2,3-diamine
CID 148852356
N-butyl-3-methylpentan-2-amine
CID 43200990
fluoromethane;N-propan-2-ylhexan-1-amine
CID 171626710
N-butyl-3,4,5,6-tetramethylheptan-2-amine
CID 91139957
N-butyl-3-methylhexan-2-amine
CID 123937982
N-pentan-2-ylheptan-1-amine
CID 43129169

Frequently Asked Questions

What is the IUPAC name of N-(1,2-difluoropropyl)butan-1-amine?
The IUPAC name of N-(1,2-difluoropropyl)butan-1-amine (CID 123879237) is N-(1,2-difluoropropyl)butan-1-amine.
What is the SMILES notation for N-(1,2-difluoropropyl)butan-1-amine?
The canonical SMILES for N-(1,2-difluoropropyl)butan-1-amine is CCCCNC(F)C(C)F.
What is the InChIKey of N-(1,2-difluoropropyl)butan-1-amine?
The InChIKey is GKPFXZRYBVBURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N/c1-3-4-5-10-7(9)6(2)8/h6-7,10H,3-5H2,1-2H3.
What are the key properties of N-(1,2-difluoropropyl)butan-1-amine?
N-(1,2-difluoropropyl)butan-1-amine has a molecular weight of 151.20 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-difluoropropyl)butan-1-amine is sourced from PubChem (CID 123879237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).