N-(3,3-difluoropropyl)-3,3-difluoropropan-1-amine

C6H11F4N — CID 12032290

IUPACN-(3,3-difluoropropyl)-3,3-difluoropropan-1-amine
SMILESFC(F)CCNCCC(F)F
InChIInChI=1S/C6H11F4N/c7-5(8)1-3-11-4-2-6(9)10/h5-6,11H,1-4H2
InChIKeyLLVMEINJTMCRKG-UHFFFAOYSA-N
MW173.15 g/mol
LogP1.89
Rot. Bonds6

About N-(3,3-difluoropropyl)-3,3-difluoropropan-1-amine

N-(3,3-difluoropropyl)-3,3-difluoropropan-1-amine (PubChem CID 12032290) has the molecular formula C6H11F4N and a molecular weight of 173.15 g/mol. Its IUPAC name is N-(3,3-difluoropropyl)-3,3-difluoropropan-1-amine.

Molecular Properties

Compound NameN-(3,3-difluoropropyl)-3,3-difluoropropan-1-amine
PubChem CID12032290
Molecular FormulaC6H11F4N
Molecular Weight173.15 g/mol
Exact Mass173.08
IUPAC NameN-(3,3-difluoropropyl)-3,3-difluoropropan-1-amine
SMILESFC(F)CCNCCC(F)F
InChIInChI=1S/C6H11F4N/c7-5(8)1-3-11-4-2-6(9)10/h5-6,11H,1-4H2
InChIKeyLLVMEINJTMCRKG-UHFFFAOYSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.15
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-difluoroethyl)-3,3-diethoxypropan-1-amine
CID 115406800
N-(3,3-difluoropropyl)but-3-en-2-amine
CID 130679907
1-(3-hydroxyhexylamino)hexan-3-ol
CID 19936302
N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine
CID 88541962
4,4-difluorobutylhydrazine;dihydrochloride
CID 146082170
ethane;3-methyl-N-propylbutan-1-amine
CID 142041555
3-ethyl-N-(3-ethylhexyl)hexan-1-amine
CID 19083272
N-(2,2-difluoroethyl)-2,2-difluoroethanamine
CID 23323251
1,1,7,7-tetrafluoroheptane
CID 87478513
2-(4,4-difluorobutylamino)acetic acid
CID 171702884
N-(3,3-difluoropropyl)pyrimidin-2-amine
CID 131114276
6-[4-(3,3-difluoropropylamino)butyl]-3-ethyl-N-methylpyridin-2-amine
CID 153342691

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropropyl)-3,3-difluoropropan-1-amine?
The IUPAC name of N-(3,3-difluoropropyl)-3,3-difluoropropan-1-amine (CID 12032290) is N-(3,3-difluoropropyl)-3,3-difluoropropan-1-amine.
What is the SMILES notation for N-(3,3-difluoropropyl)-3,3-difluoropropan-1-amine?
The canonical SMILES for N-(3,3-difluoropropyl)-3,3-difluoropropan-1-amine is FC(F)CCNCCC(F)F.
What is the InChIKey of N-(3,3-difluoropropyl)-3,3-difluoropropan-1-amine?
The InChIKey is LLVMEINJTMCRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F4N/c7-5(8)1-3-11-4-2-6(9)10/h5-6,11H,1-4H2.
What are the key properties of N-(3,3-difluoropropyl)-3,3-difluoropropan-1-amine?
N-(3,3-difluoropropyl)-3,3-difluoropropan-1-amine has a molecular weight of 173.15 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropropyl)-3,3-difluoropropan-1-amine is sourced from PubChem (CID 12032290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).