6,7,7,7-tetrafluoro-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptan-1-amine

C12H13F14N — CID 143087546

IUPAC6,7,7,7-tetrafluoro-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptan-1-amine
SMILESNCC(CCCC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H13F14N/c13-7(9(15,16)17,10(18,19)20)3-1-2-6(5-27)4-8(14,11(21,22)23)12(24,25)26/h6H,1-5,27H2
InChIKeyLKWRUNPOQDNYBZ-UHFFFAOYSA-N
MW437.22 g/mol
LogP5.79
Rot. Bonds7

About 6,7,7,7-tetrafluoro-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptan-1-amine

6,7,7,7-tetrafluoro-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptan-1-amine (PubChem CID 143087546) has the molecular formula C12H13F14N and a molecular weight of 437.22 g/mol. Its IUPAC name is 6,7,7,7-tetrafluoro-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptan-1-amine.

Molecular Properties

Compound Name6,7,7,7-tetrafluoro-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptan-1-amine
PubChem CID143087546
Molecular FormulaC12H13F14N
Molecular Weight437.22 g/mol
Exact Mass437.08
IUPAC Name6,7,7,7-tetrafluoro-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptan-1-amine
SMILESNCC(CCCC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H13F14N/c13-7(9(15,16)17,10(18,19)20)3-1-2-6(5-27)4-8(14,11(21,22)23)12(24,25)26/h6H,1-5,27H2
InChIKeyLKWRUNPOQDNYBZ-UHFFFAOYSA-N
XLogP5.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.22
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6,7,7,7-tetrafluoro-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptan-1-amine with MolForge

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Related Compounds

[3-(Trifluoromethyl)cyclohexyl]methanamine
CID 54423793
2-Ethyl-3,3,4,4,5,5,5-heptafluoropentan-1-amine
CID 418963
1,10-Diamino-3-trifluoromethyl-3,4,4,5,5,6,6,7,7,8,8-undecafluorodecane
CID 10252560
2-(2,2-Difluorocyclohexyl)ethan-1-amine
CID 83854840
1-(3-(Difluoromethyl)cyclohexyl)methanamine
CID 84716910
(2,2-Difluorocycloheptyl)methanamine hydrochloride
CID 138987704
5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluoro-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)decan-1-amine
CID 138976549
7-Fluoro-3,7-dimethyloctan-1-amine
CID 154715479
7-Butyl-1,1,1,2,2-pentafluoro-octylamine
CID 177923951
3,3-Bis(trifluoromethyl)dodecane-1,12-diamine
CID 18546601
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-Pentadecafluoro-10-(trifluoromethyl)dodecane-1,12-diamine
CID 18546615
3,4,4,5,5,6,6,7,7,8,8,9,9,10-Tetradecafluoro-3,10-bis(trifluoromethyl)dodecane-1,12-diamine
CID 19768118

Frequently Asked Questions

What is the IUPAC name of 6,7,7,7-tetrafluoro-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptan-1-amine?
The IUPAC name of 6,7,7,7-tetrafluoro-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptan-1-amine (CID 143087546) is 6,7,7,7-tetrafluoro-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptan-1-amine.
What is the SMILES notation for 6,7,7,7-tetrafluoro-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptan-1-amine?
The canonical SMILES for 6,7,7,7-tetrafluoro-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptan-1-amine is NCC(CCCC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 6,7,7,7-tetrafluoro-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptan-1-amine?
The InChIKey is LKWRUNPOQDNYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F14N/c13-7(9(15,16)17,10(18,19)20)3-1-2-6(5-27)4-8(14,11(21,22)23)12(24,25)26/h6H,1-5,27H2.
What are the key properties of 6,7,7,7-tetrafluoro-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptan-1-amine?
6,7,7,7-tetrafluoro-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptan-1-amine has a molecular weight of 437.22 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,7,7-tetrafluoro-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptan-1-amine is sourced from PubChem (CID 143087546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).