2,2-difluorodecan-1-amine

C10H21F2N — CID 12635530

IUPAC2,2-difluorodecan-1-amine
SMILESCCCCCCCCC(F)(F)CN
InChIInChI=1S/C10H21F2N/c1-2-3-4-5-6-7-8-10(11,12)9-13/h2-9,13H2,1H3
InChIKeyMXKAZGOVLHWGEA-UHFFFAOYSA-N
MW193.28 g/mol
LogP3.33
Rot. Bonds8

About 2,2-difluorodecan-1-amine

2,2-difluorodecan-1-amine (PubChem CID 12635530) has the molecular formula C10H21F2N and a molecular weight of 193.28 g/mol. Its IUPAC name is 2,2-difluorodecan-1-amine.

Molecular Properties

Compound Name2,2-difluorodecan-1-amine
PubChem CID12635530
Molecular FormulaC10H21F2N
Molecular Weight193.28 g/mol
Exact Mass193.16
IUPAC Name2,2-difluorodecan-1-amine
SMILESCCCCCCCCC(F)(F)CN
InChIInChI=1S/C10H21F2N/c1-2-3-4-5-6-7-8-10(11,12)9-13/h2-9,13H2,1H3
InChIKeyMXKAZGOVLHWGEA-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

1,1,1,7,7-pentafluoroheptadecane
CID 54180623
3,3-difluorooctane
CID 54258569
2,2-difluorododecan-1-ol
CID 86222269
2-tert-butyl-2-fluorododecan-1-amine
CID 112566450
2-(aminomethyl)-2-octylpropane-1,3-diamine
CID 13067190
1,1,1-trifluorohexadecane
CID 15685316
2,2-dimethyloctan-1-amine
CID 62739423
2-octyldecane-1,2-diamine
CID 88831195
5,5-difluorononane
CID 21410163
11,11-difluorooctadecan-2-amine
CID 150665400
6,6-difluorooctadecan-2-amine
CID 174731685
2-tert-butyl-2-fluoroheptan-1-amine
CID 112566451

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorodecan-1-amine?
The IUPAC name of 2,2-difluorodecan-1-amine (CID 12635530) is 2,2-difluorodecan-1-amine.
What is the SMILES notation for 2,2-difluorodecan-1-amine?
The canonical SMILES for 2,2-difluorodecan-1-amine is CCCCCCCCC(F)(F)CN.
What is the InChIKey of 2,2-difluorodecan-1-amine?
The InChIKey is MXKAZGOVLHWGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2N/c1-2-3-4-5-6-7-8-10(11,12)9-13/h2-9,13H2,1H3.
What are the key properties of 2,2-difluorodecan-1-amine?
2,2-difluorodecan-1-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 2,2-difluorodecan-1-amine is sourced from PubChem (CID 12635530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).