(5R)-3'-(trifluoromethyl)spiro[1,4-dihydroimidazole-5,7'-5,6,8,9-tetrahydrobenzo[7]annulene]

C14H15F3N2 — CID 10355667

IUPAC(5R)-3'-(trifluoromethyl)spiro[1,4-dihydroimidazole-5,7'-5,6,8,9-tetrahydrobenzo[7]annulene]
SMILESFC(F)(F)c1ccc2c(c1)CC[C@]1(CC2)CN=CN1
InChIInChI=1S/C14H15F3N2/c15-14(16,17)12-2-1-10-3-5-13(8-18-9-19-13)6-4-11(10)7-12/h1-2,7,9H,3-6,8H2,(H,18,19)/t13-/m1/s1
InChIKeyLBJZFTWRVRMJGS-CYBMUJFWSA-N
MW268.28 g/mol
LogP2.95
Rot. Bonds

About (5R)-3'-(trifluoromethyl)spiro[1,4-dihydroimidazole-5,7'-5,6,8,9-tetrahydrobenzo[7]annulene]

(5R)-3'-(trifluoromethyl)spiro[1,4-dihydroimidazole-5,7'-5,6,8,9-tetrahydrobenzo[7]annulene] (PubChem CID 10355667) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is (5R)-3'-(trifluoromethyl)spiro[1,4-dihydroimidazole-5,7'-5,6,8,9-tetrahydrobenzo[7]annulene].

Molecular Properties

Compound Name(5R)-3'-(trifluoromethyl)spiro[1,4-dihydroimidazole-5,7'-5,6,8,9-tetrahydrobenzo[7]annulene]
PubChem CID10355667
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name(5R)-3'-(trifluoromethyl)spiro[1,4-dihydroimidazole-5,7'-5,6,8,9-tetrahydrobenzo[7]annulene]
SMILESFC(F)(F)c1ccc2c(c1)CC[C@]1(CC2)CN=CN1
InChIInChI=1S/C14H15F3N2/c15-14(16,17)12-2-1-10-3-5-13(8-18-9-19-13)6-4-11(10)7-12/h1-2,7,9H,3-6,8H2,(H,18,19)/t13-/m1/s1
InChIKeyLBJZFTWRVRMJGS-CYBMUJFWSA-N
XLogP2.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-3'-(trifluoromethyl)spiro[1,4-dihydroimidazole-5,7'-5,6,8,9-tetrahydrobenzo[7]annulene]?
The IUPAC name of (5R)-3'-(trifluoromethyl)spiro[1,4-dihydroimidazole-5,7'-5,6,8,9-tetrahydrobenzo[7]annulene] (CID 10355667) is (5R)-3'-(trifluoromethyl)spiro[1,4-dihydroimidazole-5,7'-5,6,8,9-tetrahydrobenzo[7]annulene].
What is the SMILES notation for (5R)-3'-(trifluoromethyl)spiro[1,4-dihydroimidazole-5,7'-5,6,8,9-tetrahydrobenzo[7]annulene]?
The canonical SMILES for (5R)-3'-(trifluoromethyl)spiro[1,4-dihydroimidazole-5,7'-5,6,8,9-tetrahydrobenzo[7]annulene] is FC(F)(F)c1ccc2c(c1)CC[C@]1(CC2)CN=CN1.
What is the InChIKey of (5R)-3'-(trifluoromethyl)spiro[1,4-dihydroimidazole-5,7'-5,6,8,9-tetrahydrobenzo[7]annulene]?
The InChIKey is LBJZFTWRVRMJGS-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15F3N2/c15-14(16,17)12-2-1-10-3-5-13(8-18-9-19-13)6-4-11(10)7-12/h1-2,7,9H,3-6,8H2,(H,18,19)/t13-/m1/s1.
What are the key properties of (5R)-3'-(trifluoromethyl)spiro[1,4-dihydroimidazole-5,7'-5,6,8,9-tetrahydrobenzo[7]annulene]?
(5R)-3'-(trifluoromethyl)spiro[1,4-dihydroimidazole-5,7'-5,6,8,9-tetrahydrobenzo[7]annulene] has a molecular weight of 268.28 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3'-(trifluoromethyl)spiro[1,4-dihydroimidazole-5,7'-5,6,8,9-tetrahydrobenzo[7]annulene] is sourced from PubChem (CID 10355667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).