3-(trifluoromethyl)-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole

C14H21F3N2 — CID 42643488

IUPAC3-(trifluoromethyl)-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole
SMILESFC(F)(F)c1n[nH]c2c1CCCCCCCCCC2
InChIInChI=1S/C14H21F3N2/c15-14(16,17)13-11-9-7-5-3-1-2-4-6-8-10-12(11)18-19-13/h1-10H2,(H,18,19)
InChIKeyCYNNROTXYWLSDG-UHFFFAOYSA-N
MW274.33 g/mol
LogP4.65
Rot. Bonds

About 3-(trifluoromethyl)-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole

3-(trifluoromethyl)-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole (PubChem CID 42643488) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 3-(trifluoromethyl)-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole.

Molecular Properties

Compound Name3-(trifluoromethyl)-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole
PubChem CID42643488
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name3-(trifluoromethyl)-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole
SMILESFC(F)(F)c1n[nH]c2c1CCCCCCCCCC2
InChIInChI=1S/C14H21F3N2/c15-14(16,17)13-11-9-7-5-3-1-2-4-6-8-10-12(11)18-19-13/h1-10H2,(H,18,19)
InChIKeyCYNNROTXYWLSDG-UHFFFAOYSA-N
XLogP4.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole?
The IUPAC name of 3-(trifluoromethyl)-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole (CID 42643488) is 3-(trifluoromethyl)-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole.
What is the SMILES notation for 3-(trifluoromethyl)-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole?
The canonical SMILES for 3-(trifluoromethyl)-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole is FC(F)(F)c1n[nH]c2c1CCCCCCCCCC2.
What is the InChIKey of 3-(trifluoromethyl)-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole?
The InChIKey is CYNNROTXYWLSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c15-14(16,17)13-11-9-7-5-3-1-2-4-6-8-10-12(11)18-19-13/h1-10H2,(H,18,19).
What are the key properties of 3-(trifluoromethyl)-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole?
3-(trifluoromethyl)-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole has a molecular weight of 274.33 g/mol, XLogP of 4.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole is sourced from PubChem (CID 42643488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).