3,3-difluoro-N-propylheptan-1-amine

C10H21F2N — CID 170379370

IUPAC3,3-difluoro-N-propylheptan-1-amine
SMILESCCCCC(F)(F)CCNCCC
InChIInChI=1S/C10H21F2N/c1-3-5-6-10(11,12)7-9-13-8-4-2/h13H,3-9H2,1-2H3
InChIKeyUWMTYHABYDZACE-UHFFFAOYSA-N
MW193.28 g/mol
LogP3.20
Rot. Bonds8

About 3,3-difluoro-N-propylheptan-1-amine

3,3-difluoro-N-propylheptan-1-amine (PubChem CID 170379370) has the molecular formula C10H21F2N and a molecular weight of 193.28 g/mol. Its IUPAC name is 3,3-difluoro-N-propylheptan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-N-propylheptan-1-amine
PubChem CID170379370
Molecular FormulaC10H21F2N
Molecular Weight193.28 g/mol
Exact Mass193.16
IUPAC Name3,3-difluoro-N-propylheptan-1-amine
SMILESCCCCC(F)(F)CCNCCC
InChIInChI=1S/C10H21F2N/c1-3-5-6-10(11,12)7-9-13-8-4-2/h13H,3-9H2,1-2H3
InChIKeyUWMTYHABYDZACE-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 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 ≤ 53.20
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

5,5-difluorononane
CID 21410163
3,3-dimethyl-N-propyldodecan-1-amine
CID 81022998
N'-butyl-N-propylethane-1,2-diamine
CID 54806979
N-propylhexadecan-1-amine
CID 18792182
2-butyl-2-ethyl-N-propyldecan-1-amine
CID 63508776
1,1,1,7,7-pentafluoroheptadecane
CID 54180623
N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine
CID 21145819
2-methyl-1-(propylamino)hexan-2-ol
CID 66039147
2-ethyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine
CID 62726032
N-propyloctadecan-1-amine;hydrofluoride
CID 88723062
azane;N-propyltetradecan-1-amine
CID 18792183
3,3-difluorooctane
CID 54258569

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-propylheptan-1-amine?
The IUPAC name of 3,3-difluoro-N-propylheptan-1-amine (CID 170379370) is 3,3-difluoro-N-propylheptan-1-amine.
What is the SMILES notation for 3,3-difluoro-N-propylheptan-1-amine?
The canonical SMILES for 3,3-difluoro-N-propylheptan-1-amine is CCCCC(F)(F)CCNCCC.
What is the InChIKey of 3,3-difluoro-N-propylheptan-1-amine?
The InChIKey is UWMTYHABYDZACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2N/c1-3-5-6-10(11,12)7-9-13-8-4-2/h13H,3-9H2,1-2H3.
What are the key properties of 3,3-difluoro-N-propylheptan-1-amine?
3,3-difluoro-N-propylheptan-1-amine has a molecular weight of 193.28 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-propylheptan-1-amine is sourced from PubChem (CID 170379370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).