4-[4-(2,2-difluoropropyl)phenyl]butan-1-amine

C13H19F2N — CID 117327291

IUPAC4-[4-(2,2-difluoropropyl)phenyl]butan-1-amine
SMILESCC(F)(F)Cc1ccc(CCCCN)cc1
InChIInChI=1S/C13H19F2N/c1-13(14,15)10-12-7-5-11(6-8-12)4-2-3-9-16/h5-8H,2-4,9-10,16H2,1H3
InChIKeyKUGORQUOOICJLD-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.17
Rot. Bonds6

About 4-[4-(2,2-difluoropropyl)phenyl]butan-1-amine

4-[4-(2,2-difluoropropyl)phenyl]butan-1-amine (PubChem CID 117327291) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-[4-(2,2-difluoropropyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name4-[4-(2,2-difluoropropyl)phenyl]butan-1-amine
PubChem CID117327291
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-[4-(2,2-difluoropropyl)phenyl]butan-1-amine
SMILESCC(F)(F)Cc1ccc(CCCCN)cc1
InChIInChI=1S/C13H19F2N/c1-13(14,15)10-12-7-5-11(6-8-12)4-2-3-9-16/h5-8H,2-4,9-10,16H2,1H3
InChIKeyKUGORQUOOICJLD-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.17
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

1-[4-(4-aminobutyl)phenyl]-2-methylpropan-2-ol
CID 117115615
4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028
3-[4-(2,2,2-trifluoroethyl)phenyl]propan-1-amine
CID 84682649
[4-(2,2-difluoropropyl)phenyl]methanamine
CID 84660094
3-[4-(2,2-difluoropropoxy)phenyl]propan-1-amine
CID 84792717
6-(4-propylphenyl)hexan-1-amine
CID 65300510
6-(4-fluorophenyl)hexan-1-amine
CID 18470415
4-[4-(3-methoxy-3-methylbutyl)phenyl]butan-1-amine
CID 117115635
[4-(4-aminobutyl)phenyl]methanol
CID 11550093
2-[4-(3,3-difluorobutyl)phenyl]ethanamine
CID 84679777
3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
4-[4-[2-(dimethylamino)ethyl]phenyl]butan-1-amine
CID 117314930

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2-difluoropropyl)phenyl]butan-1-amine?
The IUPAC name of 4-[4-(2,2-difluoropropyl)phenyl]butan-1-amine (CID 117327291) is 4-[4-(2,2-difluoropropyl)phenyl]butan-1-amine.
What is the SMILES notation for 4-[4-(2,2-difluoropropyl)phenyl]butan-1-amine?
The canonical SMILES for 4-[4-(2,2-difluoropropyl)phenyl]butan-1-amine is CC(F)(F)Cc1ccc(CCCCN)cc1.
What is the InChIKey of 4-[4-(2,2-difluoropropyl)phenyl]butan-1-amine?
The InChIKey is KUGORQUOOICJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-13(14,15)10-12-7-5-11(6-8-12)4-2-3-9-16/h5-8H,2-4,9-10,16H2,1H3.
What are the key properties of 4-[4-(2,2-difluoropropyl)phenyl]butan-1-amine?
4-[4-(2,2-difluoropropyl)phenyl]butan-1-amine has a molecular weight of 227.30 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2-difluoropropyl)phenyl]butan-1-amine is sourced from PubChem (CID 117327291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).