1,1-difluorodecan-2-amine

C10H21F2N — CID 103516493

IUPAC1,1-difluorodecan-2-amine
SMILESCCCCCCCCC(N)C(F)F
InChIInChI=1S/C10H21F2N/c1-2-3-4-5-6-7-8-9(13)10(11)12/h9-10H,2-8,13H2,1H3
InChIKeyLNKFZPZSKAXNBU-UHFFFAOYSA-N
MW193.28 g/mol
LogP3.33
Rot. Bonds8

About 1,1-difluorodecan-2-amine

1,1-difluorodecan-2-amine (PubChem CID 103516493) has the molecular formula C10H21F2N and a molecular weight of 193.28 g/mol. Its IUPAC name is 1,1-difluorodecan-2-amine.

Molecular Properties

Compound Name1,1-difluorodecan-2-amine
PubChem CID103516493
Molecular FormulaC10H21F2N
Molecular Weight193.28 g/mol
Exact Mass193.16
IUPAC Name1,1-difluorodecan-2-amine
SMILESCCCCCCCCC(N)C(F)F
InChIInChI=1S/C10H21F2N/c1-2-3-4-5-6-7-8-9(13)10(11)12/h9-10H,2-8,13H2,1H3
InChIKeyLNKFZPZSKAXNBU-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 53.33
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

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hexadecane-4,5-diamine
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3-aminoicosan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1,1-difluorodecan-2-amine?
The IUPAC name of 1,1-difluorodecan-2-amine (CID 103516493) is 1,1-difluorodecan-2-amine.
What is the SMILES notation for 1,1-difluorodecan-2-amine?
The canonical SMILES for 1,1-difluorodecan-2-amine is CCCCCCCCC(N)C(F)F.
What is the InChIKey of 1,1-difluorodecan-2-amine?
The InChIKey is LNKFZPZSKAXNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2N/c1-2-3-4-5-6-7-8-9(13)10(11)12/h9-10H,2-8,13H2,1H3.
What are the key properties of 1,1-difluorodecan-2-amine?
1,1-difluorodecan-2-amine has a molecular weight of 193.28 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluorodecan-2-amine is sourced from PubChem (CID 103516493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).