7,7,7-trifluoro-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine

C13H27F3N2 — CID 115517165

IUPAC7,7,7-trifluoro-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine
SMILESCCCNC(CCCC(F)(F)F)C(C)(C)N(C)C
InChIInChI=1S/C13H27F3N2/c1-6-10-17-11(12(2,3)18(4)5)8-7-9-13(14,15)16/h11,17H,6-10H2,1-5H3
InChIKeyUJPZXKNUULHSDZ-UHFFFAOYSA-N
MW268.37 g/mol
LogP3.43
Rot. Bonds8

About 7,7,7-trifluoro-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine

7,7,7-trifluoro-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine (PubChem CID 115517165) has the molecular formula C13H27F3N2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 7,7,7-trifluoro-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine.

Molecular Properties

Compound Name7,7,7-trifluoro-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine
PubChem CID115517165
Molecular FormulaC13H27F3N2
Molecular Weight268.37 g/mol
Exact Mass268.21
IUPAC Name7,7,7-trifluoro-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine
SMILESCCCNC(CCCC(F)(F)F)C(C)(C)N(C)C
InChIInChI=1S/C13H27F3N2/c1-6-10-17-11(12(2,3)18(4)5)8-7-9-13(14,15)16/h11,17H,6-10H2,1-5H3
InChIKeyUJPZXKNUULHSDZ-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,7,7-trifluoro-2-methoxy-2-methyl-N-propylheptan-3-amine
CID 113327134
5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine
CID 82922907
8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine
CID 115516392
2-N,2-N,2-trimethyl-5-phenyl-3-N-propylpentane-2,3-diamine
CID 79054320
3-N,3-N,3-trimethyl-1-propan-2-yloxy-2-N-propylbutane-2,3-diamine
CID 79573876
1,1,1-trifluoro-N-propylheptan-2-amine
CID 66205587
3-ethyl-3-N,3-N-dimethyl-4-N-propyloctane-3,4-diamine
CID 79061055
3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine
CID 116726022
6,6,6-trifluoro-1-propan-2-yloxy-N-propylhexan-2-amine
CID 105174504
1-(3-bicyclo[3.1.0]hexanyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023867
1,1,1-trifluoro-N-propyldodecan-4-amine
CID 79964145
1-butan-2-ylsulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine
CID 115516904

Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine?
The IUPAC name of 7,7,7-trifluoro-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine (CID 115517165) is 7,7,7-trifluoro-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine.
What is the SMILES notation for 7,7,7-trifluoro-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine?
The canonical SMILES for 7,7,7-trifluoro-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine is CCCNC(CCCC(F)(F)F)C(C)(C)N(C)C.
What is the InChIKey of 7,7,7-trifluoro-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine?
The InChIKey is UJPZXKNUULHSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F3N2/c1-6-10-17-11(12(2,3)18(4)5)8-7-9-13(14,15)16/h11,17H,6-10H2,1-5H3.
What are the key properties of 7,7,7-trifluoro-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine?
7,7,7-trifluoro-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine has a molecular weight of 268.37 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine is sourced from PubChem (CID 115517165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).