(4S)-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]

C17H13ClF4N2 — CID 166499517

IUPAC(4S)-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1cccc2c1CCC[C@@]21CN2C=C(C(F)(F)F)C=C(Cl)C2=N1
InChIInChI=1S/C17H13ClF4N2/c18-13-7-10(17(20,21)22)8-24-9-16(23-15(13)24)6-2-3-11-12(16)4-1-5-14(11)19/h1,4-5,7-8H,2-3,6,9H2/t16-/m1/s1
InChIKeyZAESIAWHNWVEFZ-MRXNPFEDSA-N
MW356.75 g/mol
LogP4.65
Rot. Bonds

About (4S)-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]

(4S)-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499517) has the molecular formula C17H13ClF4N2 and a molecular weight of 356.75 g/mol. Its IUPAC name is (4S)-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(4S)-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499517
Molecular FormulaC17H13ClF4N2
Molecular Weight356.75 g/mol
Exact Mass356.07
IUPAC Name(4S)-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1cccc2c1CCC[C@@]21CN2C=C(C(F)(F)F)C=C(Cl)C2=N1
InChIInChI=1S/C17H13ClF4N2/c18-13-7-10(17(20,21)22)8-24-9-16(23-15(13)24)6-2-3-11-12(16)4-1-5-14(11)19/h1,4-5,7-8H,2-3,6,9H2/t16-/m1/s1
InChIKeyZAESIAWHNWVEFZ-MRXNPFEDSA-N
XLogP4.65
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.75
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (4S)-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499517) is (4S)-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (4S)-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (4S)-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] is Fc1cccc2c1CCC[C@@]21CN2C=C(C(F)(F)F)C=C(Cl)C2=N1.
What is the InChIKey of (4S)-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is ZAESIAWHNWVEFZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H13ClF4N2/c18-13-7-10(17(20,21)22)8-24-9-16(23-15(13)24)6-2-3-11-12(16)4-1-5-14(11)19/h1,4-5,7-8H,2-3,6,9H2/t16-/m1/s1.
What are the key properties of (4S)-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
(4S)-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 356.75 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).