4,4,5,5,6,6-hexafluorohexan-1-amine

C6H9F6N — CID 172565102

IUPAC4,4,5,5,6,6-hexafluorohexan-1-amine
SMILESNCCCC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C6H9F6N/c7-4(8)6(11,12)5(9,10)2-1-3-13/h4H,1-3,13H2
InChIKeyKNCJZYDUILKANP-UHFFFAOYSA-N
MW209.13 g/mol
LogP2.26
Rot. Bonds5

About 4,4,5,5,6,6-hexafluorohexan-1-amine

4,4,5,5,6,6-hexafluorohexan-1-amine (PubChem CID 172565102) has the molecular formula C6H9F6N and a molecular weight of 209.13 g/mol. Its IUPAC name is 4,4,5,5,6,6-hexafluorohexan-1-amine.

Molecular Properties

Compound Name4,4,5,5,6,6-hexafluorohexan-1-amine
PubChem CID172565102
Molecular FormulaC6H9F6N
Molecular Weight209.13 g/mol
Exact Mass209.06
IUPAC Name4,4,5,5,6,6-hexafluorohexan-1-amine
SMILESNCCCC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C6H9F6N/c7-4(8)6(11,12)5(9,10)2-1-3-13/h4H,1-3,13H2
InChIKeyKNCJZYDUILKANP-UHFFFAOYSA-N
XLogP2.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetrafluoropentan-1-amine
CID 130986187
6,6,7,7,8,8-hexafluorooctyl 2-methylbutanoate
CID 20727697
3,3,4,4-tetrafluorobutan-1-amine;hydrochloride
CID 138991551
1,1,2,2,3,3,4,4-octafluorodecane
CID 10613179
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorododecane
CID 163290372
2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine
CID 134263886
2,5-diamino-2-(difluoromethyl)pentanal
CID 89066354
2,5-diamino-2-(difluoromethyl)pentanoic acid
CID 3009
N-(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononyl)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-N-methylnonan-1-amine
CID 170096057
10,10,10-trifluorodecan-1-amine
CID 151642080
1,1,2,2,3,3,5,5,6,6-decafluorooctane
CID 59211715
methyl 2,6-diamino-2-(difluoromethyl)hexanoate
CID 13315051

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6-hexafluorohexan-1-amine?
The IUPAC name of 4,4,5,5,6,6-hexafluorohexan-1-amine (CID 172565102) is 4,4,5,5,6,6-hexafluorohexan-1-amine.
What is the SMILES notation for 4,4,5,5,6,6-hexafluorohexan-1-amine?
The canonical SMILES for 4,4,5,5,6,6-hexafluorohexan-1-amine is NCCCC(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 4,4,5,5,6,6-hexafluorohexan-1-amine?
The InChIKey is KNCJZYDUILKANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F6N/c7-4(8)6(11,12)5(9,10)2-1-3-13/h4H,1-3,13H2.
What are the key properties of 4,4,5,5,6,6-hexafluorohexan-1-amine?
4,4,5,5,6,6-hexafluorohexan-1-amine has a molecular weight of 209.13 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6-hexafluorohexan-1-amine is sourced from PubChem (CID 172565102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).