6,6,6-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]hexan-2-amine

C9H16F3N5 — CID 116534707

IUPAC6,6,6-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]hexan-2-amine
SMILESCC(CCCC(F)(F)F)NC(C)c1nn[nH]n1
InChIInChI=1S/C9H16F3N5/c1-6(4-3-5-9(10,11)12)13-7(2)8-14-16-17-15-8/h6-7,13H,3-5H2,1-2H3,(H,14,15,16,17)
InChIKeyANONXCLCKYGUND-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.97
Rot. Bonds6

About 6,6,6-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]hexan-2-amine

6,6,6-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]hexan-2-amine (PubChem CID 116534707) has the molecular formula C9H16F3N5 and a molecular weight of 251.26 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]hexan-2-amine
PubChem CID116534707
Molecular FormulaC9H16F3N5
Molecular Weight251.26 g/mol
Exact Mass251.14
IUPAC Name6,6,6-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]hexan-2-amine
SMILESCC(CCCC(F)(F)F)NC(C)c1nn[nH]n1
InChIInChI=1S/C9H16F3N5/c1-6(4-3-5-9(10,11)12)13-7(2)8-14-16-17-15-8/h6-7,13H,3-5H2,1-2H3,(H,14,15,16,17)
InChIKeyANONXCLCKYGUND-UHFFFAOYSA-N
XLogP1.97
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propan-2-amine
CID 114829652
6,6,6-trifluoro-N-[1-(4-methylphenyl)ethyl]hexan-2-amine
CID 116534570
5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine
CID 116534085
N-methyl-1-(2H-tetrazol-5-yl)ethanamine
CID 50988513
N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209251
6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine
CID 116534097
tert-butyl N-[5-methoxy-4-[1-(2H-tetrazol-5-yl)ethylamino]pentyl]carbamate
CID 103389670
6,6,6-trifluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]hexan-2-amine
CID 104889893
6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 116534777
N-[1-(2H-tetrazol-5-yl)ethyl]dodecan-1-amine
CID 71211357
6,6,6-trifluoro-N-[1-(1-phenylimidazol-2-yl)ethyl]hexan-2-amine
CID 136542609
1-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]butan-2-amine
CID 79007809

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]hexan-2-amine (CID 116534707) is 6,6,6-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]hexan-2-amine is CC(CCCC(F)(F)F)NC(C)c1nn[nH]n1.
What is the InChIKey of 6,6,6-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]hexan-2-amine?
The InChIKey is ANONXCLCKYGUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N5/c1-6(4-3-5-9(10,11)12)13-7(2)8-14-16-17-15-8/h6-7,13H,3-5H2,1-2H3,(H,14,15,16,17).
What are the key properties of 6,6,6-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]hexan-2-amine?
6,6,6-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]hexan-2-amine has a molecular weight of 251.26 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]hexan-2-amine is sourced from PubChem (CID 116534707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).