1-N-(3,3,3-trifluoropropyl)hexane-1,5-diamine

C9H19F3N2 — CID 82853346

IUPAC1-N-(3,3,3-trifluoropropyl)hexane-1,5-diamine
SMILESCC(N)CCCCNCCC(F)(F)F
InChIInChI=1S/C9H19F3N2/c1-8(13)4-2-3-6-14-7-5-9(10,11)12/h8,14H,2-7,13H2,1H3
InChIKeyJBNMVFFRMGXHRR-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.05
Rot. Bonds7

About 1-N-(3,3,3-trifluoropropyl)hexane-1,5-diamine

1-N-(3,3,3-trifluoropropyl)hexane-1,5-diamine (PubChem CID 82853346) has the molecular formula C9H19F3N2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-N-(3,3,3-trifluoropropyl)hexane-1,5-diamine.

Molecular Properties

Compound Name1-N-(3,3,3-trifluoropropyl)hexane-1,5-diamine
PubChem CID82853346
Molecular FormulaC9H19F3N2
Molecular Weight212.26 g/mol
Exact Mass212.15
IUPAC Name1-N-(3,3,3-trifluoropropyl)hexane-1,5-diamine
SMILESCC(N)CCCCNCCC(F)(F)F
InChIInChI=1S/C9H19F3N2/c1-8(13)4-2-3-6-14-7-5-9(10,11)12/h8,14H,2-7,13H2,1H3
InChIKeyJBNMVFFRMGXHRR-UHFFFAOYSA-N
XLogP2.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-(4,4,4-trifluorobutyl)butane-1,3-diamine
CID 115520181
2-methyl-1-N-(5,5,5-trifluoropentyl)heptane-1,6-diamine
CID 115520367
5-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 106130922
1-N-propylnonane-1,8-diamine
CID 87246434
1-N-(4-aminobutyl)pentane-1,4-diamine
CID 91335741
N'-(3,3,3-trifluoropropyl)hexane-1,6-diamine
CID 63228081
5-amino-N-(3,3,3-trifluoropropyl)hexanamide
CID 82851486
4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine
CID 115513588
3-methyl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine
CID 115520404
3,3-dimethyl-1-N-(3,3,3-trifluoropropyl)butane-1,2-diamine
CID 112555996
5-(3,3,3-trifluoropropylamino)pentanenitrile
CID 63226133
1-N-(3-methyl-2-propan-2-ylbutyl)hexane-1,5-diamine
CID 102913647

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,3,3-trifluoropropyl)hexane-1,5-diamine?
The IUPAC name of 1-N-(3,3,3-trifluoropropyl)hexane-1,5-diamine (CID 82853346) is 1-N-(3,3,3-trifluoropropyl)hexane-1,5-diamine.
What is the SMILES notation for 1-N-(3,3,3-trifluoropropyl)hexane-1,5-diamine?
The canonical SMILES for 1-N-(3,3,3-trifluoropropyl)hexane-1,5-diamine is CC(N)CCCCNCCC(F)(F)F.
What is the InChIKey of 1-N-(3,3,3-trifluoropropyl)hexane-1,5-diamine?
The InChIKey is JBNMVFFRMGXHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2/c1-8(13)4-2-3-6-14-7-5-9(10,11)12/h8,14H,2-7,13H2,1H3.
What are the key properties of 1-N-(3,3,3-trifluoropropyl)hexane-1,5-diamine?
1-N-(3,3,3-trifluoropropyl)hexane-1,5-diamine has a molecular weight of 212.26 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,3,3-trifluoropropyl)hexane-1,5-diamine is sourced from PubChem (CID 82853346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).