6-N,6-N-dichloro-3,3-difluoro-1-N,1-N,6-trimethylheptane-1,6-diamine

C10H20Cl2F2N2 — CID 162564095

IUPAC6-N,6-N-dichloro-3,3-difluoro-1-N,1-N,6-trimethylheptane-1,6-diamine
SMILESCN(C)CCC(F)(F)CCC(C)(C)N(Cl)Cl
InChIInChI=1S/C10H20Cl2F2N2/c1-9(2,16(11)12)5-6-10(13,14)7-8-15(3)4/h5-8H2,1-4H3
InChIKeyMKYUVSIFAACISR-UHFFFAOYSA-N
MW277.19 g/mol
LogP3.74
Rot. Bonds7

About 6-N,6-N-dichloro-3,3-difluoro-1-N,1-N,6-trimethylheptane-1,6-diamine

6-N,6-N-dichloro-3,3-difluoro-1-N,1-N,6-trimethylheptane-1,6-diamine (PubChem CID 162564095) has the molecular formula C10H20Cl2F2N2 and a molecular weight of 277.19 g/mol. Its IUPAC name is 6-N,6-N-dichloro-3,3-difluoro-1-N,1-N,6-trimethylheptane-1,6-diamine.

Molecular Properties

Compound Name6-N,6-N-dichloro-3,3-difluoro-1-N,1-N,6-trimethylheptane-1,6-diamine
PubChem CID162564095
Molecular FormulaC10H20Cl2F2N2
Molecular Weight277.19 g/mol
Exact Mass276.10
IUPAC Name6-N,6-N-dichloro-3,3-difluoro-1-N,1-N,6-trimethylheptane-1,6-diamine
SMILESCN(C)CCC(F)(F)CCC(C)(C)N(Cl)Cl
InChIInChI=1S/C10H20Cl2F2N2/c1-9(2,16(11)12)5-6-10(13,14)7-8-15(3)4/h5-8H2,1-4H3
InChIKeyMKYUVSIFAACISR-UHFFFAOYSA-N
XLogP3.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-difluoro-N,N,4,4-tetramethylpentan-1-amine
CID 164750438
3-[2-(dimethylamino)ethyl]-N,N,N',N',3-pentamethylpentane-1,5-diamine
CID 89049269
N,N,N',N',3,3-hexamethylpentane-1,5-diamine
CID 143746016
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-N,N-dimethyldecan-1-amine
CID 10051282
4,4-difluoro-N,N,3,3-tetramethylbutan-1-amine
CID 170950191
4-(dimethylamino)-2-methylbutan-2-ol;zirconium
CID 58881629
methylsulfanylmethane;N,N,1-trichloro-2-methylpropan-2-amine
CID 87350667
N,N,1-trichloro-2-methylpropan-2-amine;trimethylphosphane
CID 87350627
2-N-chloro-1-N,2-N,2-trimethyl-1-N-(3,3,3-trifluoropropyl)propane-1,2-diamine
CID 162564092
3,3-difluoro-N,N-dimethylbutan-1-amine;ethane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
CID 172563999
4-chloro-N,N,4-trimethylpentan-1-amine
CID 2780460
N',N',2,2-tetramethylbutane-1,4-diamine
CID 65250173

Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-dichloro-3,3-difluoro-1-N,1-N,6-trimethylheptane-1,6-diamine?
The IUPAC name of 6-N,6-N-dichloro-3,3-difluoro-1-N,1-N,6-trimethylheptane-1,6-diamine (CID 162564095) is 6-N,6-N-dichloro-3,3-difluoro-1-N,1-N,6-trimethylheptane-1,6-diamine.
What is the SMILES notation for 6-N,6-N-dichloro-3,3-difluoro-1-N,1-N,6-trimethylheptane-1,6-diamine?
The canonical SMILES for 6-N,6-N-dichloro-3,3-difluoro-1-N,1-N,6-trimethylheptane-1,6-diamine is CN(C)CCC(F)(F)CCC(C)(C)N(Cl)Cl.
What is the InChIKey of 6-N,6-N-dichloro-3,3-difluoro-1-N,1-N,6-trimethylheptane-1,6-diamine?
The InChIKey is MKYUVSIFAACISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Cl2F2N2/c1-9(2,16(11)12)5-6-10(13,14)7-8-15(3)4/h5-8H2,1-4H3.
What are the key properties of 6-N,6-N-dichloro-3,3-difluoro-1-N,1-N,6-trimethylheptane-1,6-diamine?
6-N,6-N-dichloro-3,3-difluoro-1-N,1-N,6-trimethylheptane-1,6-diamine has a molecular weight of 277.19 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-dichloro-3,3-difluoro-1-N,1-N,6-trimethylheptane-1,6-diamine is sourced from PubChem (CID 162564095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).