3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodecane-1,10-diamine

C10H12F12N2 — CID 15061690

IUPAC3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodecane-1,10-diamine
SMILESNCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCN
InChIInChI=1S/C10H12F12N2/c11-5(12,1-3-23)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)2-4-24/h1-4,23-24H2
InChIKeyOJJYXBAVUNNBGO-UHFFFAOYSA-N
MW388.20 g/mol
LogP3.50
Rot. Bonds9

About 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodecane-1,10-diamine

3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodecane-1,10-diamine (PubChem CID 15061690) has the molecular formula C10H12F12N2 and a molecular weight of 388.20 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodecane-1,10-diamine.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodecane-1,10-diamine
PubChem CID15061690
Molecular FormulaC10H12F12N2
Molecular Weight388.20 g/mol
Exact Mass388.08
IUPAC Name3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodecane-1,10-diamine
SMILESNCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCN
InChIInChI=1S/C10H12F12N2/c11-5(12,1-3-23)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)2-4-24/h1-4,23-24H2
InChIKeyOJJYXBAVUNNBGO-UHFFFAOYSA-N
XLogP3.50
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.20
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodecane-1,10-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-1-amine
CID 154642605
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-amine
CID 2783341
3,3,4,4,5,5-hexafluoroheptane-1,7-diamine
CID 170615056
3,3,3-tri(18F)fluoropropan-1-amine
CID 10154023
1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluorohexadecane
CID 12596031
(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-phosphonodecyl)phosphonic acid
CID 155293680
N'-(4,4,5,5,6,6,7,7-octafluorotetradecyl)ethane-1,2-diamine
CID 121403391
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-tetratriacontafluorodocosane
CID 99769054
7-[diamino(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane
CID 172814135
4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorododecanedial
CID 146309216
methyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluorotridecanoate
CID 46945110
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-heptatriacontafluoro-20-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptatriacontafluoroicosylsulfanyl)icosane
CID 163324947

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodecane-1,10-diamine?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodecane-1,10-diamine (CID 15061690) is 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodecane-1,10-diamine.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodecane-1,10-diamine?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodecane-1,10-diamine is NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCN.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodecane-1,10-diamine?
The InChIKey is OJJYXBAVUNNBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F12N2/c11-5(12,1-3-23)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)2-4-24/h1-4,23-24H2.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodecane-1,10-diamine?
3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodecane-1,10-diamine has a molecular weight of 388.20 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodecane-1,10-diamine is sourced from PubChem (CID 15061690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).